Month: October 2022

Chlorinated organic compounds are found in nearly every class of biomolecules. 12112-67-3, formula is C16H24Cl2Ir2, Name is Chloro(1,5-cyclooctadiene)iridium(I) dimer. Alkyl chlorides, as versatile building blocks in organic chemistry, are used in the preparation of alcohols, thioethers, alkenes, alkynes, esters, and Grignard reagents. Recommanded Product: Chloro(1,5-cyclooctadiene)iridium(I) dimer.

Zhou, Xiaoguang;Malakar, Santanu;Dugan, Thomas;Wang, Kun;Sattler, Aaron;Marler, David O.;Emge, Thomas J.;Krogh-Jespersen, Karsten;Goldman, Alan S. research published 《 Alkane Dehydrogenation Catalyzed by a Fluorinated Phebox Iridium Complex》, the research content is summarized as follows. The authors report an Ir acetate complex with a fluorinated Phebox ligand (2,6-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-3,5-bis(trifluoromethyl)phenyl) that is a highly effective catalyst for acceptorless dehydrogenation of alkanes. Under typical acceptorless dehydrogenation conditions, a high turnover frequency was obtained, which is limited by the rate of expulsion of H₂ from the reaction solution Rates and turnover numbers for acceptorless dehydrogenation are significantly greater than found for the nonfluorinated analog. As in the case of the nonfluorinated analog, Na⁺ acts as a cocatalyst with the fluorinated catalyst again yielding greater rates and total turnovers. Computational studies shed light on the possible mechanistic pathways. The initial alkane activation is a net Ir-H/C-H bond metathesis giving an Ir-alkyl bond and loss of H₂; this is the slowest chem. step in the cycle. The lowest-energy pathway is calculated to proceed via concerted metalated deprotonation (CMD) of the alkane. Pathways proceeding via transition states with oxidative addition (Ir(V)) character, however, are only slightly higher in energy. These transition states can lead either to Ir(V) intermediates, which then lose H₂, or connect directly to a dihydrogen complex. The role of Na⁺ is largely to promote dechelation by coordinating to an acetate O, opening a vacant coordination site that allows reaction with the alkane. This coordination by Na⁺ prevents the CMD mechanism from operating, but it significantly lowers the energy of the Ir(V) TSs. NBO anal. shows a net transfer of charge from the alkane atoms to the metal complex in the Ir(V) TSs, with and without coordinated Na⁺. Thus, the oxidative addition is actually reductive in nature, driven in part by electrophilicity of the metal center. The Na⁺ cation further increases electrophilicity in addition to promoting dechelation. The greater activity of the fluorinated catalyst compared with the parent complex can also be explained in terms of the electrophilic nature of the reaction. The fluorinated catalyst is also more resistant to decomposition than the nonfluorinated analog.

Recommanded Product: Chloro(1,5-cyclooctadiene)iridium(I) dimer, Bis(1,5-cyclooctadiene)diiridium(I) is a useful research compound. Its molecular formula is C16H24Cl2Ir2-2 and its molecular weight is 671.7 g/mol. The purity is usually 95%.
Bis(1,5-cyclooctadiene)diiridium(I) Dichloride is a catalyst used in the iridium-catalyzed asymmetry hydrogenation of unfunctionalized exocyclic double carbon bonds. Also, it is used to test new NeoPHOX ligands derived from serine or threonine.
Bis(1,5-cyclooctadiene)diiridium(I) dichloride is an acid that can be prepared using a preparative method. It is an organometallic compound that can be used in the cross-coupling of activated terminal alkynes with aryl halides. Bis(1,5-cyclooctadiene)diiridium(I) dichloride has been synthesized by reacting furfural with chloride and acetonitrile. The ligand used was 2,2′-bipyridine. The reaction time to produce bis(1,5-cyclooctadiene)diiridium(I) dichloride is approximately three hours.
, 12112-67-3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. 2905-24-0, formula is C6H4BrClO2S, Name is 3-Bromobenzenesulfonyl chloride. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Computed Properties of 2905-24-0.

Zhou, Nengneng;Kuang, Kaimo;Wu, Meixia;Wu, Sixin;Xia, Ziqin;Xu, Qiankun;Zhang, Man research published 《 Visible-light-induced radical cascade cyclization of 1-(allyloxy)-2-(1-arylvinyl)benzenes with sulfonyl chlorides for the synthesis of sulfonated benzoxepines》, the research content is summarized as follows. A visible light photocatalyzed cascade sulfonylation/cyclization of 1-(allyloxy)-2-(1-arylvinyl)benzenes I (X = O; R¹ = H, 4-F, 5-Me, 3,4-benzo, etc.; R² = Ph, 2-MeC₆H₄, 4-BrC₆H₄, etc.; R³ = H, Me) and their analogs I (X = CH₂, NTs; R¹ = R³ = H; R² = Ph) with sulfonyl chlorides R⁴SO₂Cl (R⁴ = Me, cyclopropyl, 4-MeC₆H₄, 1-naphthyl, 2-thienyl, etc.) for the construction of sulfonated benzoxepines and analogs II has been developed. In the presence of Eosin Y (2.0 mol%) as a photocatalyst and Na₂CO₃ as a base, the reactions proceed smoothly to afford seven-membered rings in good yields. This transformation features wide substrate scope, the use of easily accessible materials and excellent functional group tolerance.

Computed Properties of 2905-24-0, 3-Bromobenzenesulfonyl chloride is an aryl sulfonyl chloride derivative. It participates in the synthesis of N-sulfonylanthranilic acid derivatives and potent P1′ benzenesulfonyl azacyclic urea human immunodeficiency virus (HIV) protease inhibitors.
3-Bromobenzenesulfonyl chloride is a molecule that can be used to inhibit the uptake of 3-bromobenzoate. The inhibition of uptake is due to the desymmetrization of the unsymmetrical, 3-bromobenzoate. This reaction leads to an increase in the concentration of 3-bromobenzoate. Inhibition studies have shown that 3-bromobenzenesulfonyl chloride has an inhibitory effect on cancer cells and apoptosis pathway. The structural studies have shown that this drug is synthetic and biphenyl can be synthesized from it. T-cell lymphomas have been shown to be inhibited by this drug and heart disease has also been inhibited., 2905-24-0.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Chloride substituents modify the physical properties of organic compounds in several ways. 2905-24-0, formula is C6H4BrClO2S, Name is 3-Bromobenzenesulfonyl chloride. They are typically denser than water due to the presence of chlorine, which has a high atomic weight. HPLC of Formula: 2905-24-0.

Zhou, Nengneng;Kuang, Kaimo;Wu, Meixia;Wu, Sixin;Xu, Qiankun;Xia, Ziqin;Zhang, Man research published 《 tert-Butyl Hydroperoxide-Initiated Radical Cyclization of 1-(Allyloxy)-2-(1-Arylvinyl)Benzenes with Sulfinic Acids to Access Sulfonated Benzoxepines》, the research content is summarized as follows. A tert-Bu hydroperoxide-initiated radical cyclization of 1-(allyloxy)-2-(1-arylvinyl)benzenes I (R = H, F, Cl, Br, t-Bu; R¹ = H; R² = C₆H₅, 4-BrC₆H₄, 2-thienyl, etc.; R³ = H, Me; R⁴ = H, Me, OMe, Br; R⁵ = H, t-Bu; RR¹ = -CH=CHCH=CH-; X = O, NTs) with sulfinic acids R⁶S(O)OH (R⁶ = 4-CH₃C₆H₄, 1-naphthyl, 2-thienyl, etc.) for the construction of sulfonated benzoxepines II (R⁷ = C₆H₅, 4-BrC₆H₄, 2-thienyl, etc.; R⁸ = H, Me) is developed. This reaction involves a radical pathway and offers a straightforward route to the formation of seven-membered ring via sulfonylation/cyclization process. This methodol. features mild reaction conditions, a broad substrate scope and good functional group tolerance.

HPLC of Formula: 2905-24-0, 3-Bromobenzenesulfonyl chloride is an aryl sulfonyl chloride derivative. It participates in the synthesis of N-sulfonylanthranilic acid derivatives and potent P1′ benzenesulfonyl azacyclic urea human immunodeficiency virus (HIV) protease inhibitors.
3-Bromobenzenesulfonyl chloride is a molecule that can be used to inhibit the uptake of 3-bromobenzoate. The inhibition of uptake is due to the desymmetrization of the unsymmetrical, 3-bromobenzoate. This reaction leads to an increase in the concentration of 3-bromobenzoate. Inhibition studies have shown that 3-bromobenzenesulfonyl chloride has an inhibitory effect on cancer cells and apoptosis pathway. The structural studies have shown that this drug is synthetic and biphenyl can be synthesized from it. T-cell lymphomas have been shown to be inhibited by this drug and heart disease has also been inhibited., 2905-24-0.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Chlorinated organic compounds are found in nearly every class of biomolecules. 1878-65-5, formula is C8H7ClO2, Name is 3-Chlorophenylacetic acid. Alkyl chlorides, as versatile building blocks in organic chemistry, are used in the preparation of alcohols, thioethers, alkenes, alkynes, esters, and Grignard reagents. Application In Synthesis of 1878-65-5.

Zhou, Mengze;Wang, Weiwei;Wang, Zhongkui;Wang, Yilin;Zhu, Yifan;Lin, Zhiqian;Tian, Sheng;Huang, Yuan;Hu, Qinghua;Li, Huanqiu research published 《 Discovery and computational studies of 2-phenyl-benzoxazole acetamide derivatives as promising P2Y₁₄R antagonists with anti-gout potential》, the research content is summarized as follows. The P2Y14 nucleotide receptor, a subtype of P2Y receptors, is implicated in many human inflammatory diseases. Based on the identification of favorable residues of two screening hits in the almost sym. P2Y14 binding domain, we describe the structural optimization of previously identified virtual screening hits 6 and 7 that result in the development of P2Y14R antagonists with a novel 2-phenyl-benzoxazole acetamide chem. scaffold. Notably, compound 52 showed potent P2Y14R antagonistic activity (IC50 = 2 nM), and a stronger inhibitory effect on MSU-induced inflammatory in vitro, better than a previously described P2Y14R antagonist PPTN. In vivo evaluation demonstrated that compound 52 also had satisfactory inhibitory activity on the inflammatory response of gout flares in mice. Moreover, P2Y14R antagonist 52 decreased paw swelling and inflammatory cell infiltration through cAMP/NLRP3/GSDMD signaling pathways in MSU-induced acute gouty arthritis mice. The discussions on the binding mechanism that employ MM/GBSA free energy calculations/decompositions also provide some useful clues for further structural designing of compound 52. Taken together, 2-phenyl-benzoxazole acetamide derivative 52 with potent P2Y14R antagonistic activity and in vivo potency could be a promising strategy for gout therapy and deserves further optimization.

Application In Synthesis of 1878-65-5, 3-Chlorophenylacetic acid is a useful research compound. Its molecular formula is C8H7ClO2 and its molecular weight is 170.59 g/mol. The purity is usually 95%.
3-Chlorophenyl acetic acid is a compound that has resonance mass of 269. The compound reacts with HBr and water to produce 3-chlorobenzene, carbon dioxide and hydrogen chloride. A reaction product of this chemical is covid-19 pandemic (a type of drug)., 1878-65-5.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

The class of organic compounds having covalently a bonded chlorine atom is called organic chlorides. 12112-67-3, formula is C16H24Cl2Ir2, Name is Chloro(1,5-cyclooctadiene)iridium(I) dimer. Their wide structural variety and divergent chemical properties lead to a broad range of named reactions and applications. Application of C16H24Cl2Ir2.

Zhou, Lei;Zhang, Dejin;Hu, Jinling;Wu, Youting;Geng, Jiao;Hu, Xingbang research published 《 Thermal Dehydrogenation and Hydrolysis of BH₃NH₃ Catalyzed by Cyclic (Alkyl)(amino)carbene Iridium Complexes under Mild Conditions》, the research content is summarized as follows. Though NH₃-borane (AB) is recognized as an excellent H storage material, efficient dehydrogenation of AB still remains a challenge. Herein, the authors report that cyclic (alkyl)(amino)carbene Ir complexes are highly efficient for both the thermal dehydrogenation and hydrolysis of AB under mild conditions. At 30°, the two processes are completed within 15 and 5 min, releasing 2.1 and 2.8 equiv of H₂ per AB, resp. Also, 2.8 equiv of H₂ can be released within 10 min by thermal dehydrogenation at 60°. Kinetic studies revealed that the activation energies for thermal dehydrogenation and hydrolysis of AB are 10.7 and 8.5 kcal/mol, resp. The catalyst can be recycled without significant loss of activity at least six times for both processes. The reaction mechanisms were further explored by theor. calculations, stoichiometric reactions, and kinetic isotope effect experiments

Application of C16H24Cl2Ir2, Bis(1,5-cyclooctadiene)diiridium(I) is a useful research compound. Its molecular formula is C16H24Cl2Ir2-2 and its molecular weight is 671.7 g/mol. The purity is usually 95%.
Bis(1,5-cyclooctadiene)diiridium(I) Dichloride is a catalyst used in the iridium-catalyzed asymmetry hydrogenation of unfunctionalized exocyclic double carbon bonds. Also, it is used to test new NeoPHOX ligands derived from serine or threonine.
Bis(1,5-cyclooctadiene)diiridium(I) dichloride is an acid that can be prepared using a preparative method. It is an organometallic compound that can be used in the cross-coupling of activated terminal alkynes with aryl halides. Bis(1,5-cyclooctadiene)diiridium(I) dichloride has been synthesized by reacting furfural with chloride and acetonitrile. The ligand used was 2,2′-bipyridine. The reaction time to produce bis(1,5-cyclooctadiene)diiridium(I) dichloride is approximately three hours.
, 12112-67-3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

The class of organic compounds having covalently a bonded chlorine atom is called organic chlorides. 104-86-9, formula is C7H8ClN, Name is (4-Chlorophenyl)methanamine. Their wide structural variety and divergent chemical properties lead to a broad range of named reactions and applications. Safety of (4-Chlorophenyl)methanamine.

Zhou, Jun;Ma, Xiaoming;Wang, Yuexin;Li, Xia;Lang, Xianjun research published 《 Visible light-initiated aerobic oxidation of amines to imines over TiO₂ microspheres with TEMPO⁺PF₆^–》, the research content is summarized as follows. Semiconductor photocatalysis holds great promise to drive vital chem. reactions utilizing sunlight. Amongst semiconductors, TiO₂-related materials are one of the most viable to achieve enhanced photocatalytic performances because of their intrinsic merits. Here TiO₂ microspheres assembled from nanocrystals with a distinct hierarchical architecture and a high sp. surface area were fabricated using a simple template-free solvothermal process. Assembling amines on TiO₂ microspheres initiated by visible light can lead to a surface complex that captures visible light for further oxidation of amines. Moreover, the selective oxidation of amines could be boosted by fully exploring the surface polarity of TiO₂ microspheres with more polar 2,2,6,6-tetramethylpiperidine-1-oxoammonium hexafluorophosphate (TEMPO⁺PF₆^–) instead of (2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO) as the redox mediator. As such, cooperative photocatalysis with TEMPO⁺PF₆^– was framed over TiO₂ microspheres to initiate the efficient and selective aerobic oxidation of benzyl amines into imines. Significantly, the activity of TEMPO⁺PF₆^– surpassed that of TEMPO in aiding the visible light-initiated selective oxidation of amines over TiO₂ microspheres, reaching more than about 3 times in some cases. This work suggests that the surface properties of a semiconductor could be maneuvered to enable coupling with a suitable redox mediator to ameliorate selective organic conversions in an unprecedented manner.

Safety of (4-Chlorophenyl)methanamine, 4-Chlorobenzylamine is a useful research compound. Its molecular formula is C7H8ClN and its molecular weight is 141.6 g/mol. The purity is usually 95%.
4-Chlorobenzylamine is a reactant in the environmentally friendly synthesis of pyrroles.
4-Chlorobenzylamine is a chemical that is used as an intermediate in the synthesis of other compounds. It has low bioavailability, which may be due to its reactive site. The chemical can be characterized using nmr spectra and potent inhibitory activity. 4-Chlorobenzylamine has been found to react with nitrogen atoms, and this reaction is highly acidic. FT-IR spectroscopy can also be used to characterize this compound. Intermolecular hydrogen bonding and hydroxyl group are two of the major interactions of 4-chlorobenzylamine with other molecules. This chemical reacts with serine protease, glyoxal, and other substances in a manner that depends on the molecule’s structure., 104-86-9.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. 104-86-9, formula is C7H8ClN, Name is (4-Chlorophenyl)methanamine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Application of C7H8ClN.

Zhou, Jun;Mao, Lijun;Wu, Meng-Xiang;Peng, Zhiyong;Yang, Yiming;Zhou, Manfei;Zhao, Xiao-Li;Shi, Xueliang;Yang, Hai-Bo research published 《 Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines》, the research content is summarized as follows. Herein authors successfully developed a ring-fusion approach to extend the conjugation length of phenothiazines and synthesized a series of novel extended phenothiazines. The intriguing π-conjugation length-dependent photophys. and redox properties of these extended phenothiazines, and their photocatalytic performance towards visible-light-driven oxidative coupling reactions of amines were systematically investigated. As compared with the conventional phenothiazine (PTZ), all the extended phenothiazines displayed reversible redox behavior and maintained a strong excited-state reduction potential as well. Consequently, phenothiazines with longer effective conjugation lengths could efficiently catalyze the oxidative coupling of amines to imines under visible-light irradiation; by comparison, the shorter PTZ could only catalyze such reactions in the presence of UV light. Moreover, one PTZ showed superior catalytic performance which can result in better yields within a shorter reaction time, and in a broad substrate scope. Finally, a direct and efficient conversion of amines to imines under sunlight in an air atm. was successfully realized. Authors believe that their study including the new phenothiazine modification methodol. and the newly developed extended phenothiazine-based photocatalysts will open up a new way to develop novel phenothiazine-based materials for optoelectronic and catalytic applications.

104-86-9, 4-Chlorobenzylamine is a useful research compound. Its molecular formula is C7H8ClN and its molecular weight is 141.6 g/mol. The purity is usually 95%.
4-Chlorobenzylamine is a reactant in the environmentally friendly synthesis of pyrroles.
4-Chlorobenzylamine is a chemical that is used as an intermediate in the synthesis of other compounds. It has low bioavailability, which may be due to its reactive site. The chemical can be characterized using nmr spectra and potent inhibitory activity. 4-Chlorobenzylamine has been found to react with nitrogen atoms, and this reaction is highly acidic. FT-IR spectroscopy can also be used to characterize this compound. Intermolecular hydrogen bonding and hydroxyl group are two of the major interactions of 4-chlorobenzylamine with other molecules. This chemical reacts with serine protease, glyoxal, and other substances in a manner that depends on the molecule’s structure., Application of C7H8ClN

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

The class of organic compounds having covalently a bonded chlorine atom is called organic chlorides. 12112-67-3, formula is C16H24Cl2Ir2, Name is Chloro(1,5-cyclooctadiene)iridium(I) dimer. Their wide structural variety and divergent chemical properties lead to a broad range of named reactions and applications. Electric Literature of 12112-67-3.

Zhou, Fei-Yu;Jiao, Lei research published 《 Asymmetric Defluoroallylation of 4-Trifluoromethylpyridines Enabled by Umpolung C-F Bond Activation》, the research content is summarized as follows. Here, a defluorinative functionalization reaction of 4-trifluoromethylpyridines involving difluoro(pyrid-4-yl)methyl anion as the key intermediate, which was developed based upon our previous studies on the N-boryl pyridyl anion chem. was reported. In particular, asym. defluoroallylation of 4-trifluoromethylpyridines and -pyrimidines could be achieved by using Ir-catalysis to forge a difluoroalkyl-substituted chiral center.

12112-67-3, Bis(1,5-cyclooctadiene)diiridium(I) is a useful research compound. Its molecular formula is C16H24Cl2Ir2-2 and its molecular weight is 671.7 g/mol. The purity is usually 95%.
Bis(1,5-cyclooctadiene)diiridium(I) Dichloride is a catalyst used in the iridium-catalyzed asymmetry hydrogenation of unfunctionalized exocyclic double carbon bonds. Also, it is used to test new NeoPHOX ligands derived from serine or threonine.
Bis(1,5-cyclooctadiene)diiridium(I) dichloride is an acid that can be prepared using a preparative method. It is an organometallic compound that can be used in the cross-coupling of activated terminal alkynes with aryl halides. Bis(1,5-cyclooctadiene)diiridium(I) dichloride has been synthesized by reacting furfural with chloride and acetonitrile. The ligand used was 2,2′-bipyridine. The reaction time to produce bis(1,5-cyclooctadiene)diiridium(I) dichloride is approximately three hours.
, Electric Literature of 12112-67-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Chlorinated organic compounds are found in nearly every class of biomolecules. 349-88-2, formula is C6H4ClFO2S, Name is 4-Fluorobenzene-1-sulfonyl chloride. Alkyl chlorides, as versatile building blocks in organic chemistry, are used in the preparation of alcohols, thioethers, alkenes, alkynes, esters, and Grignard reagents. Product Details of C6H4ClFO2S.

Zhong, Haijing;Ding, Tengbo;Guo, Qifeng;Tian, Zeng;Yu, Pei;Jiang, Xiaojian research published 《 Accessing chiral 2,2-disubstituted morpholines via organocatalytic enantioselective chlorocycloetherification》, the research content is summarized as follows. Chiral morpholine is an important scaffold in organic synthesis and a pharmacophore in medicinal chem. However, catalytic enantioselective procedures for the construction of morpholines remain sparse. Herein a catalytic asym. halocyclization protocol to furnish morpholines containing a quaternary stereocenter using cinchona alkaloid-derived phthalazine as the catalyst has been reported. Various chlorinated 2,2-disubstituted morpholines are achieved from alkenol substrates in excellent yields and enantioselectivities under mild conditions.

Product Details of C6H4ClFO2S, 4-Fluorobenzenesulfonyl chloride is a useful research compound. Its molecular formula is C6H4ClFO2S and its molecular weight is 194.61 g/mol. The purity is usually 95%.

4-Fluorobenzenesulfonyl Chloride is found to be an excellent activating agent for the covalent attachment of biological substances to a variety of solid supports e.g. Sepharose beads. 4-Fluorobenzenesulfonyl Chloride is also used as a reagent for the studies of proteins by fluorine NMR.

4-Fluorobenzenesulfonyl chloride is a reactive chemical that has been shown to have a low safety profile in humans. It is used in the synthesis of replication inhibitors, which are potential anticancer drugs. It also has been shown to inhibit tumor metastasis and growth in mice by binding to the active site of DNA polymerase and inhibiting DNA replication. 4-Fluorobenzenesulfonyl chloride is stable in human liver cells and has been shown to be an effective macroinitiator for proton-coupled electron transfer reactions. This compound has been shown to induce locomotor activity and energy efficiency in rats, which may be due to its ability to increase the number of mitochondria per cell., 349-88-2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

The class of organic compounds having covalently a bonded chlorine atom is called organic chlorides. 104-86-9, formula is C7H8ClN, Name is (4-Chlorophenyl)methanamine. Their wide structural variety and divergent chemical properties lead to a broad range of named reactions and applications. Category: chlorides-buliding-blocks.

Zhi, Xiao-yan;Song, Li-li;Liang, Jing;Wei, Si-qi;Li, Yang;Zhang, Yuan;Hao, Xiao-juan;Cao, Hui;Yang, Chun research published 《 Synthesis and in vitro antifungal activity of new Michael-type amino derivatives of xanthatin, a natural sesquiterpene lactone from Xanthium strumarium L.》, the research content is summarized as follows. Structural optimization using plant secondary metabolites as templates is one of the important approach to discover pesticide mols. with novel skeletons. Xanthatin, a natural sesquiterpene lactone isolated from the Xanthium plants (Family: Compositae), exhibits important biol. properties. In this work, a series of Michael-type amino derivatives were prepared from xanthatin and their structures were characterized by ¹H NMR, ¹³C NMR and HR-MS, and their antifungal activities against several phytopathogenic fungi were evaluated according to the spore germination method and mycelium growth rate method in vitro. The results illustrated that compounds I (IC₅₀ = 78.91μg/mL) and II (IC₅₀ = 64.51μg/mL) exhibited more promising inhibition activity against spores of F. solani than precursor xanthatin, three compounds exhibited remarkable antifungal effect on C. mandshurica with the average inhibition rates (AIRs) >90%, whereas the AIR of xanthatin was only 59.34%. Meanwhile, the preliminary structure-activity relationships suggested that the amino containing 2-methoxyethyl or 4-chlorophenylmethyl group appended in the C-13 position of xanthatin could yield potential compounds against fungal spores, and the exocyclic double bond of xanthatin is essential to maintain its mycelial growth inhibitory activity. Therefore, the aforementioned findings indicate that partial xanthatin amino-derivatives could be considered for further exploration as the potential lead structures toward development of the new environmentally friendly fungicidal candidates for sustainable crop protection.

Category: chlorides-buliding-blocks, 4-Chlorobenzylamine is a useful research compound. Its molecular formula is C7H8ClN and its molecular weight is 141.6 g/mol. The purity is usually 95%.
4-Chlorobenzylamine is a reactant in the environmentally friendly synthesis of pyrroles.
4-Chlorobenzylamine is a chemical that is used as an intermediate in the synthesis of other compounds. It has low bioavailability, which may be due to its reactive site. The chemical can be characterized using nmr spectra and potent inhibitory activity. 4-Chlorobenzylamine has been found to react with nitrogen atoms, and this reaction is highly acidic. FT-IR spectroscopy can also be used to characterize this compound. Intermolecular hydrogen bonding and hydroxyl group are two of the major interactions of 4-chlorobenzylamine with other molecules. This chemical reacts with serine protease, glyoxal, and other substances in a manner that depends on the molecule’s structure., 104-86-9.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics