Category: 350-30-1

Kang, Yun published the artcilePalladium-Catalyzed Intramolecular Heck/Aminocarbonylation of Alkene-Tethered Iodobenzenes with Nitro Compounds: Synthesis of Carbamoyl-Substituted Benzoheterocycles, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is Journal of Organic Chemistry, database is CAplus and MEDLINE.

A palladium-catalyzed intramol. Heck/aminocarbonylation of alkene-tethered iodobenzenes 2-I-4-R-5-R¹-C₆H₂XCH₂C(CH₃)=CH₂ [R = H, F, Cl, Me, etc.; R¹ = H, Cl, OMe, C(O)OMe; X = O, NMe, NBn, NTs] with nitro compounds R²NO₂ (R² = Me, Ph, naphthalen-2-yl, 2H-1,3-benzodioxol-5-yl, etc.) has been developed for the synthesis of carbamoyl substituted benzoheterocycles I. Using Mo(CO)₆ as a solid CO source, no external reductant or additives were needed in this procedure. Both nitroarenes and nitroalkanes were well tolerated. A range of carbamoyl-substituted dihydrobenzofurans I (X = O) and indolines I (X = NMe, NBn, NTs) were prepared in moderate to high yields.

Journal of Organic Chemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Chen, Chao published the artcileUse of Phenoxyaniline Analogues To Generate Biochemical Insights into the Interactio n of Polybrominated Diphenyl Ether with CYP2B Enzymes, Formula: C6H3ClFNO2, the publication is Biochemistry (2018), 57(5), 817-826, database is CAplus and MEDLINE.

Human hepatic cytochromes P 450 (CYP) are integral to xenobiotic metabolism CYP2B6 is a major catalyst of biotransformation of environmental toxicants including polybrominated di-Ph ethers (PBDEs). CYP2B substrates tend to contain halogen atoms, but the biochem. basis for this selectivity and for species specific determinants of metabolism has not been identified. Spectral binding titrations and inhibition studies were performed to investigate interactions of rat CYP2B1, rabbit CYP2B4, and CYP2B6 with a series of phenoxyaniline (POA) congeners that are analogs of PBDEs. For most congeners, there was less than 3-fold difference between the spectral binding constants (K_S) and IC₅₀ values. In contrast, large discrepancies between these values were observed for POA and 3-chloro-4-phenoxyaniline. CYP2B1 was the most sensitive enzyme to POA congeners, so the Val-363 residue from that enzyme was introduced into CYP2B4 or CYP2B6. This substitution partially altered the protein-ligand interaction profiles to make them more similar to that of CYP2B1. Addition of cytochrome P 450 oxidoreductase (POR) to titrations of CYP2B6 with POA or 2’4’5’TCPOA decreased the affinity of both ligands for the enzyme. Addition of cytochrome b₅ (cyt b₅) to a recombinant enzyme system containing POR and CYP2B6 increased the POA IC₅₀ value and decreased the 2’4’5’TCPOA IC₅₀ value. Overall, the inconsistency between K_S and IC₅₀ values for POA vs. 2’4’5’TCPOA is largely due to the effects of redox partner binding. These results provide insight into the biochem. basis of di-Ph ether binding to human CYP2B6 and changes in CYP2B6 mediated metabolism dependent on POA congener and redox partner identity.

Biochemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Formula: C6H3ClFNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Huang, Zhi-You published the artcileA microwave-assisted approach to N-(2-nitrophenyl)benzenesulfonamides that enhanced peroxidase activity in response to excess cadmium, HPLC of Formula: 350-30-1, the publication is Tetrahedron Letters (2019), 60(8), 626-629, database is CAplus.

A facile and efficient approach to N-(2-nitrophenyl) benzenesulfonamides was developed under microwave irradiation A series of pyrabactin analogs containing nitrophenyl scaffold was obtained in excellent yields. In addition, the method was pretty suitable to prepare flusulfamide. Significantly, the 4-bromo-N-(4-chloro-2-nitrophenyl)benzenesulfonamide could enhance POD activity in response to heavy metal stress.

Tetrahedron Letters published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, HPLC of Formula: 350-30-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Zhang, Xiulan published the artcileSynthesis and insecticidal evaluation of novel anthranilic diamides containing N-substituted nitrophenylpyrazole, HPLC of Formula: 350-30-1, the publication is Bioorganic & Medicinal Chemistry (2014), 22(1), 186-193, database is CAplus and MEDLINE.

To cope with developing pest resistance and ecol. problems associated with conventional insecticides and to search for potent insecticides targeting at ryanodine receptor (RyR), a series of novel anthranilic diamides containing N-substituted nitrophenylpyrazole I [R¹ = Me, Et, cyclohexyl, etc.; R² = 2,4-(O₂N)₂C₆H₃, 2-Cl-6-O₂NC₆H₃, 2-Cl-4-O₂NC₆H₃] were designed and synthesized. The insecticidal activities of target compounds against oriental armyworm (Mythimna separata) and diamondback moth (Plutella xylostella) were evaluated in the greenhouse by bio-assay tests and the relative structure-activity relationships were briefly discussed. Most compounds exhibited moderate to high activities, in which I [R¹ = t-Bu; R² = 2-Cl-6-O₂NC₆H₃] and I [R¹ = cyclopropyl; R² = 2-Cl-4-O₂NC₆H₃] showed high activity against oriental armyworm and K₂ and K₄ against diamondback moth even better than the control-chlorantraniliprole. The calcium imaging technique was used to investigate the effects of several typical title compounds on the [Ca²⁺]_i, especially the effects of I [R¹ = t-Bu; R² = 2-Cl-6-O₂NC₆H₃] on the intracellular calcium ion concentration ([Ca²⁺]_i) in neurons, which indicated that some title compounds were potent activators of the RyR.

Bioorganic & Medicinal Chemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C10H10CoF6P, HPLC of Formula: 350-30-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Yang, Li-Miao published the artcilePalladium Catalyzed Aminocarbonylation of Benzylic Ammonium Triflates with Nitroarenes: Synthesis of Phenylacetamides, COA of Formula: C6H3ClFNO2, the publication is Advanced Synthesis & Catalysis (2021), 363(8), 2061-2065, database is CAplus.

A palladium catalyzed reductive aminocarbonylation of benzylic ammonium triflates with nitroarenes for the synthesis of phenylacetamides was developed. Using Pd(acac)₂/DPPF catalyst system, a range of different substituted phenylacetamides were prepared in moderate to good yields from benzylic ammonium triflates and nitroarenes through Csp³-N bond cleavage. A variety of alkyl, aryl, and halide substituents on both substrates was used, and many useful functional groups were tolerated.

Advanced Synthesis & Catalysis published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C11H21BF4N2O2, COA of Formula: C6H3ClFNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Liu, Jing-Bo published the artcileSynthesis, insecticidal evaluation and 3D-QSAR study of novel anthranilic diamide derivatives as potential ryanodine receptor modulators, Formula: C6H3ClFNO2, the publication is Pest Management Science (2019), 75(4), 1034-1044, database is CAplus and MEDLINE.

BACKGROUND : Anthranilic diamide insecticides control lepidopteran pests through selectively binding and activating insect ryanodine receptors. In order to search for potential insecticides targeting the ryanodine receptors, a series of anthranilic diamide analogs including trifluoromethyl, nitro, or chloro groups were designed and synthesized by the principle of bioisosterism and structural optimization. RESULTS : Insecticidal data indicated that some compounds displayed good activity against oriental armyworm (Mythimna separata) and diamondback moth (Plutella xylostella). In particular, the larvicidal activity of 6p against P. xylostella was 95% at 0.01 mg L^-1, equivalent to chlorantraniliprole (85%, 0.01 mg L^-1). The comparative mol. similarity index anal. model obtained indicated that hydrogen bond acceptor and electron-withdrawing groups in the R’₃ group are favorable for insecticidal activity against M. separata, which is consistent with the structure-activity relationships. Moreover, the calcium imaging experiment indicated, like chlorantraniliprole, that 6h and 6p are interacting with the ryanodine receptor. CONCLUSION : Introducing trifluoromethyl, nitro, or chloro groups to a specific position in the N-phenylpyrazole could improve or maintain the activity against M. separata and P. xylostella. 6h and 6p could be used as potential lead compounds for ryanodine receptor modulators.Μ.

Pest Management Science published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Formula: C6H3ClFNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Li, Wen-xiao published the artcileA study on preparing 3-chloro-4-fluoroaniline by hydrogenation, Formula: C6H3ClFNO2, the publication is Ranliao Yu Ranse (2014), 51(6), 35-39, database is CAplus.

The compound 3-chloro-4-fluoro aniline synthesized from 3-chloro-4-fluoride nitrobenzene with catalyst Pt-Cu-S/C by low-pressure hydrogenation was studied. The performances of the catalyst for hydrogenation of 3-chloro-4-fluoro nitrobenzene were investigated, and probed into the main factors influencing the hydrogenation. Experiments showed that the catalyst has high catalytic activity and selectivity. In conditions of mass fraction of Pt in the catalyst 1%, mass fraction of Cu in the catalyst 0.1%, the mass fraction of S in the catalyst 0.03%, catalyst amount 0.5% (in weight of nitro compound), the amount of solvent 2 mL ethanol/1 g nitro compounds, the reaction temperature 80°C, pressure 1.5 MPa, yield of 3-chloro-4-fluoro aniline was 98%, purity more than 99.5%.

Ranliao Yu Ranse published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Formula: C6H3ClFNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Guo, Yafei published the artcilePalladium-modified functionalized cyclodextrin as an efficient and recyclable catalyst for reduction of nitroarenes, COA of Formula: C6H3ClFNO2, the publication is RSC Advances (2016), 6(10), 7950-7954, database is CAplus.

A palladium-modified functionalized cyclodextrin (DACH-Pd-β-CD) catalytic system was synthesized and characterised. It showed high catalytic performance in the reduction of different nitroarenes to the corresponding anilines with the presence of sodium borohydride in water at room temperature The yields of the desired products were up to 99%. Furthermore, the catalyst can be easily separated and still could maintain high catalytic activity after five cycles and no leaching of Pd into solution occurred.

RSC Advances published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, COA of Formula: C6H3ClFNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Tawari, Nilesh published the artcileMutagenicity prediction for nitroaromatic compounds using qstr modeling, Related Products of chlorides-buliding-blocks, the publication is International Journal of Pharmacy and Pharmaceutical Sciences (2014), 6(7), 149-157, database is CAplus.

Objective: Nitroarom. compounds are important industrial chems. widely used in the synthesis of many diverse products including drugs, dyes, polymers, pesticides and explosives. However, the mutagenicity associated with nitroarom. compounds is a toxicol. feature which poses great concern. On the other hand, there are successful examples of non-mutagenic nitroarom. mols.; indicating that safer nitroarom. compounds can be developed. In this light the aim of the present work was to predict the mutagenicity of nitroarom. compounds using an atom based QSTR model. Methods: An atom based QSTR model was developed using PHASE. In addition, mols. were studied by complete geometry optimization using DFT at B3LYP/3-21G* level of theory. Results: An atom based QSTR model was generated for prediction of mutagenicity of the compounds Conclusion: The visualization of different properties highlighted key inferences. These include the likelihood of mutagenicity for the mols. with more fused planar hydrophobic rings having hydrogen bond acceptor and electron donating substitutions. Also, all highly mutagenic compounds have two or more neg. potential regions. Specific electronic properties such as HOMO and LUMO indicate that most of the mutagenic mols. are very reactive in nature. The results of this study would be useful as a predictive tool to screen out mutagenic nitroarenes and design safer non-mutagenic nitro compounds

International Journal of Pharmacy and Pharmaceutical Sciences published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C2H8Cl2N4S2, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Chen, Hao published the artcileConformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations, Safety of 3-Chloro-4-fluoronitrobenzene, the publication is Journal of Medicinal Chemistry (2022), 65(9), 6840-6858, database is CAplus and MEDLINE.

Tertiary C797S mutation of epidermal growth factor receptor (EGFR)-mediated resistance in non-small-cell-lung-cancer (NSCLC) patients is still an unmet clin. need. Several classes of ATP-competitive or allosteric EGFR^T790M/C797S inhibitors and degraders have been developed, but none of them have received approval from the regulatory agencies. Herein, we report the structure-based design of conformational constrained 4-(1-ethylsufonyl-3-indolyl)-2-phenylaminopyrimidines as new EGFR^T790M/C797S inhibitors by using a macrocyclization strategy. Representative compound 18j potently inhibited EGFR^{19del/T790M/C797S} and EGFR^{L858R/T790M/C797S} mutants with IC₅₀ values of 15.8 and 23.6 nM and suppressed Ba/F3-EGFR^{L858R/T790M/C797S} and Ba/F3-EGFR^{19del/T790M/C797S} cells with IC₅₀ values of 0.036 and 0.052 μM, resp., which is 10-20-fold more potent than brigatinib. 18j also potently inhibited the EGFR^{19del/T790M/C797S}-mutated PC-9-OR NSCLC cell proliferation with an IC₅₀ value of 0.644 μM but was less potent for parental Ba/F3 and A431 cells. This study provides a new lead compound for drug discovery to combat EGFR^C797S-mediated resistance in NSCLC patients.

Journal of Medicinal Chemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Safety of 3-Chloro-4-fluoronitrobenzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics