Month: October 2022

Williams, F. J.; Donahue, P. E. published the artcile< Reaction of thiophenoxides with nitro- and halo-substituted phthalic anhydrides>, Quality Control of 118-45-6, the main research area is phthalic anhydride nitro halo substitution; substitution nitrophthalic anhydride; thiophenol substitution nitrophthalic anhydride.

A wide variety of thioether-substituted phthalic anhydride derivatives e.g. I (R = H, Me, Cl, OH) and II (R = H, Me, Cl, MeO) were synthesized from the reaction of thiophenoxides with nitro- or halosubstituted phthalic anhydrides. These reactions were carried out at room temperature and gave no indication of attack by the S nucleophile at the carbonyl groups of the anhydride. This is in direct contrast with the room-temperature reactions of phthalic anhydride with phenoxide nucleophiles, in which the nucleophile attacks only the carbonyl groups. The reaction involving the S nucleophile works well using either preformed salts of the thiophenols or by generating the nucleophile in situ with amine or inorganic salts used as bases. The choice of the base system determines the speed of the reaction, which can vary from <5 min to 3 h at 25 C. The halo derivatives are preferred over the nitro derivatives to minimize side reactions. Journal of Organic Chemistry published new progress about Cyclocondensation reaction, intramolecular. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Quality Control of 118-45-6.

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

Wray, Victor; Lincoln, David N. published the artcile< The additivity of substituent effects upon J(FF) in polysubstituted fluorobenzenes: an update>, SDS of cas: 1435-43-4, the main research area is fluorine spin coupling substituent effect.

Substituent constants nJFF values (n = 2-5) and calculated unperturbed couplings are reported for 1,2,3-, 1,2,4-, 1,3,2-, 1,3,4-, 1,3,5-, and 1,4,2-F2RC6H3 (R = NH2, OH, F, Cl, Br, I, CF3, CN, NO2). Substituent effects on 3JFF values are additive. A previous anal. (Abraham, R. J.; MacDonald, D. B.; Pepper, E. S., 1968) of 4JFF and 5JFF is updated.

Organic Magnetic Resonance published new progress about Aryl fluorides Role: PRP (Properties). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, SDS of cas: 1435-43-4.

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

Yamaguchi, Miyuki; Katsumata, Haruka; Manabe, Kei published the artcile< One-Pot Synthesis of Substituted Benzo[b]furans from Mono- and Dichlorophenols Using Palladium Catalysts Bearing Dihydroxyterphenylphosphine>, Application of C8H7ClO3, the main research area is Sonogashira Suzuki Miyaura coupling chlorophenol alkyne boronic acid; palladium dihydroxyterphenylphosphine XPhos catalyst benzofuran preparation.

A dihydroxyterphenylphosphine bearing cyclohexyl groups on the phosphorus atom (I, Cy-DHTP) was found to be a powerful ligand for the palladium-catalyzed one-pot synthesis of substituted benzo[b]furans from 2-chlorophenols and terminal alkynes. E.g., in presence of PdCl2(MeCN)2, I, and LiOCMe3, Sonogashira cross-coupling of 2-chlorophenol and PhCH2CH2CCH gave 82% benzo[b]furan derivative (II). This catalyst system was also applicable to the sequential one-pot synthesis of disubstituted benzo[b]furans from dichlorophenols via the Suzuki-Miyaura cross-coupling of chlorobenzo[b]furan with boronic acids. The use of two ligands, I and XPhos, is the key to promoting the reactions. Mechanistic studies suggest that the Pd-Cy-DHTP catalyst is the active species in the Sonogashira cross-coupling step, while the Pd-XPhos catalyst accelerates the Suzuki-Miyaura cross-coupling step.

Journal of Organic Chemistry published new progress about Alkynes, α- Role: RCT (Reactant), RACT (Reactant or Reagent). 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Application of C8H7ClO3.

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

Gao, Changlu; Zhang, Suobo; Gao, Lianxun; Ding, Mengxian published the artcile< Microwave-assisted synthesis of high-molecular-weight poly(ether imide)s by phase-transfer catalysis>, Synthetic Route of 118-45-6, the main research area is polyether polyimide polycondensation phase transfer catalysis polymerization microwave.

A facile and rapid polycondensation reaction of disodium bisphenol A with bis(chlorophthalimide)s was preformed with a domestic microwave oven in o-dichlorobenzene by phase-transfer catalysis. The polymerization reactions, in comparison with conventional heating polycondensation, proceeded rapidly and were completed within 25 min. The polymerizations gave the corresponding poly(ether imide)s with inherent viscosities of 0.55-0.92 dL g-1. The effects of various factors on the polymerization, such as the amount of the catalyst, the reaction time, and the microwave power were studied. The properties of the polymers were briefly characterized.

Journal of Applied Polymer Science published new progress about Glass transition temperature. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Synthetic Route of 118-45-6.

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

Dukat, Ma-lgorzata; Abdel-Rahman, Ashraf A.; Ismaiel, Abd M.; Ingher, Stacy; Teitler, Milt; Gyermek, Lazlo; Glennon, Richard A. published the artcile< Structure-Activity Relationships for the Binding of Arylpiperazines and Arylbiguanides at 5-HT3 Serotonin Receptors>, Quality Control of 16799-05-6, the main research area is arylpiperazine arylbiguanide preparation serotonin receptor binding.

Arylpiperazines are nonselective agents that bind at 5-HT3 serotonin receptors with moderate to high affinity, whereas 1-phenylbiguanide is a low-affinity but more selective 5-HT3 agonist. In an attempt to enhance the affinity of the latter agent, and working with the assumption that similarities might exist between the binding of the two types of agents, we formulated structure-activity relationships for the binding of the arylpiperazines and then incorporated those substituents, leading to high affinity for the arylpiperazines, into 1-phenylbiguanide. A subsequent investigation examined the structure-activity relationships of the arylbiguanides and identified arylguanidines as a novel class of 5-HT3 ligands. Although curious similarities exist between the structure-activity relationships of the arylpiperazines, arylbiguanides, and arylguanidines, it cannot be concluded that all three series of compounds are binding in the same manner. Furthermore, upon investigating pairs of compounds in the three series, the arylpiperazines behaved as 5-HT3 antagonists (von Bezold-Jarisch assay) whereas the arylbiguanides and arylguanidines acted as 5-HT3 agonists.

Journal of Medicinal Chemistry published new progress about 5-HT3 receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Quality Control of 16799-05-6.

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

Ji, Shunli; Gao, Hongbin; Xia, Xingya; Zheng, Feng published the artcile< A new HPLC-UV derivatization approach for the determination of potential genotoxic benzyl halides in drug substances>, Related Products of 611-19-8, the main research area is benzyl halide antipyrine oroxylin A genotoxicity HPLCUV derivatization method.

Benzyl halides, widely used as alkylation reagents in drug synthesis, are potential genotoxic impurities (PGTIs) required to be controlled at trace levels. However, the existing anal. methods for benzyl halides often suffer from matrix interferences or low derivatization efficiency of benzyl chlorides. In this paper, a simple derivatization HPLC-UV method was developed for the anal. of these residual trace benzyl halides in drug substances. 1-(4-Nitrophenyl) piperazine (4-NPP) was selected as a new derivatization reagent because it shifted well the benzyl halides derivatives away to the near visible range (392 nm), which could minimize the matrix interferences from the drug substances and related impurities. Meanwhile, potassium iodide (KI) was used to convert the mixed benzyl halides into benzyl iodides before derivatization. The derivatization parameters were also optimized using the design of experiments (DoE) for achieving the best reaction efficiency. The results showed that the new approach had high specificity and sensitivity, and the LOQs were 7-9 μg g-1 relative to 5 mg mL-1 antipyrine and 17.5-22.5 μg g-1 relative to 2 mg mL-1 oroxylin A. The method is a valuable alternative for the determination of residual benzyl halides in the drug substances.

RSC Advances published new progress about Benzyl halides Role: ANT (Analyte), ANST (Analytical Study). 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, Related Products of 611-19-8.

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

Carrillo-Arcos, Ulises A.; Rojas-Ocampo, Jonathan; Porcel, Susana published the artcile< Oxidative cyclization of alkenoic acids promoted by AgOAc>, Computed Properties of 22717-55-1, the main research area is benzodioxinone preparation; oxidative cyclization alkenoic acid silver acetate.

Alkenoic acids derived from salicylic acid and analogs undergo an unexpected oxidative cyclization process triggered by AgOAc leading to 4H-benzo[d][1,3]dioxin-4-ones. The process is affected by the substitution on the aryl and the allyl units.

Dalton Transactions published new progress about Carboxylic acids, unsaturated Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Computed Properties of 22717-55-1.

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

Hu, Xiaojun; Zhou, Bingwei; Jin, Hongwei; Liu, Yunkui; Zhang, Liming published the artcile< Bifunctional phosphine ligand-enabled gold-catalyzed direct cycloisomerization of alkynyl ketones to 2,5-disubstituted furans>, COA of Formula: C9H7ClO, the main research area is disubstituted furan preparation phosphinyl gold catalyst; alkynyl ketone cycloisomerization.

An efficient synthesis of 2,5-disubstituted furans I (R1 = H, 4-Me, 4-F, etc.; R2 = Pr, C6H5, Bn, etc.) directly from alkynyl ketones has been developed via tandem gold(I)-catalyzed isomerization of alkynyl ketones to allenyl ketones and cycloisomerization. The key to the success of this chem. is the use of a biphenyl-2-ylphosphine ligand featuring a critical remote tertiary amino group.

Chemical Communications (Cambridge, United Kingdom) published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, COA of Formula: C9H7ClO.

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

Zender, Michael; Klein, Tobias; Henn, Claudia; Kirsch, Benjamin; Maurer, Christine K.; Kail, Dagmar; Ritter, Christiane; Dolezal, Olan; Steinbach, Anke; Hartmann, Rolf W. published the artcile< Discovery and biophysical characterization of 2-amino-oxadiazoles as novel antagonists of PqsR, an important regulator of Pseudomonas aeruginosa virulence>, COA of Formula: C8H6ClN3S, the main research area is aminooxadiazole antibacterial protein PqsR Pseudomonas.

The human pathogen Pseudomonas aeruginosa employs alkyl quinolones for cell-to-cell communication. The Pseudomonas quinolone signal (PQS) regulates various virulence factors via interaction with the transcriptional regulator PqsR. Therefore, the authors considered the development of PqsR antagonists as a novel strategy to limit the pathogenicity of P. aeruginosa. A fragment identification approach using surface plasmon resonance screening led to the discovery of chem. diverse PqsR ligands. The optimization of the most promising hit (5) resulted in the oxadiazole-2-amine 37 showing pure antagonistic activity in Escherichia coli (EC50 = 7.5 μM) and P. aeruginosa (EC50 = 38.5 μM) reporter gene assays. Compound 37 was able to diminish the production of the PQS precursor HHQ in a PqsH-deficient P. aeruginosa mutant. The level of the major virulence factor pyocyanin was significantly reduced in wild-type P. aeruginosa. In addition, site-directed mutagenesis in combination with isothermal titration calorimetry and NMR INPHARMA experiments revealed that the identified ligands bind to the same site of PqsR by adopting different binding modes. These findings might be utilized in a future fragment-growing approach aiming at novel therapeutic options for the treatment of P. aeruginosa infections.

Journal of Medicinal Chemistry published new progress about Antibacterial agents. 70057-67-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6ClN3S, COA of Formula: C8H6ClN3S.

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

Obydennov, Konstantin L.; Kalinina, Tatiana A.; Galieva, Nadezhda A.; Beryozkina, Tetyana V.; Zhang, Yue; Fan, Zhijin; Glukhareva, Tatiana V.; Bakulev, Vasiliy A. published the artcile< Synthesis, Fungicidal Activity and Molecular Docking of 2-Acylamino and 2-Thioacylamino Derivatives of 1H-benzo[d]imidazoles as Anti-Tubulin Agents>, Quality Control of 162046-61-9, the main research area is benzimidazole preparation fungicidal mol docking; 5CA1; antifungal activity; benzimidazoles; carbendazim; molecular docking; nocodazole; tautomerism; tubulin.

This work dealt with the synthesis and evaluation of fungicidal activity of benzimidazole derivatives, which were structural analogs of com. anti-tubulin fungicides. A series of N-acyl and N-thioacyl derivatives of 2-amino-1H-benzo[d]imidazole I [R1 = H, Me, CF3, CO2Et; R2 = H; R3 = H, Me; R4 = Me, Ph, 2-thienyl, etc.; R1R2 = OCF2O; X = O, S] was prepared and their fungicidal activity against 13 strains of phytopathogenic fungi was studied. The most active compounds against the majority of the studied strains were compounds I [R1 = H, R2 = H, R3 = H, R4 = Ph, X = O; R1 = H, R2 = H, R3 = H, R4 = CF3, X = S; R1R2 = OCF2O, R3 = H, R4 = CF3, X = S] and the EC50 values of these compounds were in the range 2.5-20μg/mL. Compound I [R1 = H, R2 = H, R3 = H, R4 = Ph, X = O] showed the highest activity against the P. infestans strain, the growth of which was not suppressed by carbendazim. The formation of ligand-receptor complexes of various tautomeric forms of the studied benzimidazoles with homologous models of β-tubulins of B. cinerea, F. oxysporum, and P. infestans was modeled. Induced fit docking had been used for the simulation. The obtained data suggested the possibility of binding of benzimidazole fungicides to β-tubulin in the “”nocodazole cavity”” in the tautomeric form bearing a double exocyclic C=N bond. The importance of the formation of hydrogen bonds of benzimidazoles with the amino acid residue Val236 along with the Glu198 residue was also revealed in the present study.

Journal of Agricultural and Food Chemistry published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Quality Control of 162046-61-9.

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