Category: 16588-26-4

Safety of 3-Bromo-4-chloronitrobenzene. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about GDC-0449-A potent inhibitor of the hedgehog pathway. [Erratum to document cited in CA151:550392]. Author is Robarge, Kirk D.; Brunton, Shirley A.; Castanedo, Georgette M.; Cui, Yong; Dina, Michael S.; Goldsmith, Richard; Gould, Stephen E.; Guichert, Oivin; Gunzner, Janet L.; Halladay, Jason; Jia, Wei; Khojasteh, Cyrus; Koehler, Michael F. T.; Kotkow, Karen; La, Hank; LaLonde, Rebecca L.; Lau, Kevin; Lee, Leslie; Marshall, Derek; Marsters, James C.; Murray, Lesley J.; Qian, Changgeng; Rubin, Lee L.; Salphati, Laurent; Stanley, Mark S.; Stibbard, John H. A.; Sutherlin, Daniel P.; Ubhayaker, Savita; Wang, Shumei; Wong, Susan; Xie, Minli.

On page 1, lines 59 -62 are incorrect; the correct versions of the lines are given. On page 5 lines 220-225 are incorrect; the correct versions of the lines are given. In addition, References 25, citing K Sasai et al., (2006) and 26, citing JT Romer et al., (2004), were erroneous omitted.

There is still a lot of research devoted to this compound(SMILES：BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl)Safety of 3-Bromo-4-chloronitrobenzene, and with the development of science, more effects of this compound(16588-26-4) can be discovered.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Efficient and recyclable bimetallic Co-Cu catalysts for selective hydrogenation of halogenated nitroarenes.Reference of 3-Bromo-4-chloronitrobenzene.

Silica supported N-doped carbon layers encapsulating Co-Cu nanoparticles (Co1Cux@CN/SiO2) were prepared by a one-step impregnation of Co(NO3)2·6H2O, Cu(NO3)2·3H2O, urea and glucose, following in situ carbothermal reduction Effects of Cu contents on the catalytic performance of the Co1Cux@CN/SiO2 catalysts were investigated for selective hydrogenation of p-chloronitrobenzene to p-chloroaniline. The Co1Cu0.30@CN/SiO2 with Cu/Co molar ratio of 0.30:1 presented much higher activity and stability than the monometallic Co@CN/SiO2 catalyst. The addition of Cu into Co1Cux@CN/SiO2 catalysts had favorable effects on the formation of highly active Co-N sites and N-doped carbon layer. The role of the N-doped carbon layer was to protect the Co from oxidation by air, and the Co1Cu0.30@CN/SiO2 could be reused for at least 12 cycles without decrease in catalytic efficiency. Mechanistic and in situ IR studies revealed that the interaction effect between the Co and Cu atoms made the surface of Co highly electron rich, which decreased adsorption of halogen groups and resulting in the enhanced selectivity during chemoselective hydrogenation of halogenated nitroarenes for a wide scope of substrates.

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Product Details of 16588-26-4. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about A Predictive Substrate Model for Rat Glutathione S-Transferase 4-4. Author is de Groot, Marcel J.; Van der Aar, Ellen M.; Nieuwenhuizen, Peter J.; Van der Plas, R. Martijn; Kelder, Gabrieelle M. Donne; Commandeur, Jan N. M.; Vermeulen, Nico P. E..

Mol. modeling techniques have been used to derive a substrate model for class mu rat glutathione S-transferase 4-4 (GST 4-4). Information on regio- and stereoselective product formation of 20 substrates covering three chem. and structurally different classes was used to construct a substrate model containing three interaction sites responsible for Lewis acid-Lewis base interactions (IS1, IS2, and IS3), as well as a region responsible for aromatic interactions (IS4). Exptl. data suggest that the first protein interaction site (pIS1, interacting with IS1) corresponds with Tyr115, while the other protein interaction sites (pIS2 and pIS3) probably correspond with other Lewis acidic amino acids. All substrates exhibited pos. mol. electrostatic potentials (MEPs) near the site of conjugation with glutathione (GSH), as well as neg. MEP values near the position of groups with Lewis base properties (IS1, IS2, or IS3), which interact with pIS1, pIS2, or pIS3, resp. Obviously, complementarity between the MEPs of substrates and protein in specific regions is important. The substrate specificity and stereoselectivity of GST 4-4 are most likely determined by pIS1 and the distance between the site of GSH attack and Lewis base atoms in the substrates which interact with either pIS2, pIS3, or a combination of these sites. Interaction between aromatic regions in the substrate with aromatic amino acids in the protein further stabilizes the substrate in the active site. The predictive value of the model has been evaluated by rationalizing the conjugation to GSH of 11 substrates of GST 4-4 (representing 3 classes of compounds) which were not used to construct the model. All known metabolites of these substrates are explained with the model. As the computer-aided predictions appear to correlate well with exptl. results, the presented substrate model may be useful to identify new potential GST 4-4 substrates.

If you want to learn more about this compound(3-Bromo-4-chloronitrobenzene)Product Details of 16588-26-4, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(16588-26-4).

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Ligand-free Suzuki-Miyaura cross-coupling with low Pd content: rapid development by a fluorescence-based high-throughput screening method, published in 2021, which mentions a compound: 16588-26-4, mainly applied to biaryl preparation fluorescence; arylboronic acid arylbromide Suzuki Miyaura cross coupling palladium catalyst, COA of Formula: C6H3BrClNO2.

In this study, a highly efficient Suzuki-Miyaura (SM) cross-coupling was developed using metal oxide catalysts: 0.02 mol% Pd, aqueous solvent, no ligand, and room temperature Metal oxides containing low Pd content (ppm scale) were prepared by a simple co-precipitation method and used as a catalyst for the SM reaction. A fluorescence-based high-throughput screening (HTS) method was developed for the rapid evaluation of catalytic activity and reaction conditions. Among the various metal oxides, Pd/Fe2O3 showed the highest activity for the SM reaction. After further optimization by HTS, various biaryl compounds RR1 (R = 2-formylphenyl, 4-fluorophenyl, 2-chloro-5-nitrophenyl, etc.; R1 = Ph, 6-methoxynaphthalen-2-yl, pyren-1-yl, 4-fluoro-2-methylphenyl) were obtained under optimal conditions: Pd/Fe2O3 (0.02 mol% Pd) in aqueous ethanol at mild temperature without any ligands.

Here is a brief introduction to this compound(16588-26-4)COA of Formula: C6H3BrClNO2, if you want to know about other compounds related to this compound(16588-26-4), you can read my other articles.

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Synthesis and ultraviolet spectra of nitrodiphenyl-amine disperse dyes. II. Synthesis of some substituted 2- and 4-nitrodiphenylamines, published in 1967, which mentions a compound: 16588-26-4, mainly applied to DIPHENYLAMINES DISPERSE DYE; DYE DIPHENYLAMINES DISPERSE; DISPERSE DYE DIPHENYLAMINES, Safety of 3-Bromo-4-chloronitrobenzene.

The synthesis of some substituted 2- and 4-nitrodiphenylamines, yellow dyes for synthetic fibers, is described. Condensation of 0.02 mole 2,5-Cl2C6H3NO2 with 0.04 mole PhNH2 in 50 ml. boiling EtOH containing 3 g. NaOAc gave 52.8% I (R = NO2, R1 = Cl, R2 = R3 = R4 = H), m. 59-60° (75% aqueous alc.). Other I were prepared similarly (R, R1, R2, R3, R4, % yield, and m.p. given): NO2, Cl, OMe, H, H, 50, 100-1°; NO2, Cl, H, OMe, H, 37, 90°; NO2, Cl, H, H, OMe, 48, 118-19°; NO2, Cl, F, H, H, 21, 113-14°; NO2, Cl, H, F, H, 40, 99-100°; NO2, Cl, H, H, F, 38, 80-1°; NO2, Cl, H, H, SO2Me, 15, 210-11°; CF3, NO2, H, H, H, 71, 63-4°; CF3, NO2, OMe, H, H, 16, 106-7°; CF3, NO2, H, OMe, H, 32, 88°; CF3, NO2, H, H, OMe, 74, 87-8°; CF3, NO2, F, H, H, 30, 60-1°; CF3, NO2, H, F, H, 57, 73-4°; CF3, NO2, H, H, F, 20, 74-5°; MeSO2, NO2, H, H, H, 82, 169-70°; Me, NO2, H, H, H, 23, 133-4°; NO2, Me, H, H, H, 79, 34-5°; NO2, OMe, H, H, H, 23, 44-5°. Fusion of 0.02 mole 3,4-Cl2C6H3NO2 (II) with 0.04 mole PhNH2 gave 31.8% I (R = Cl, R1 = NO2, R2 = R3 = R4 = H), m. 112-13°. Other I (R = Cl, R1 = NO2) were prepared similarly (R2, R3, R4, % yield, and m.p. given): OMe, H, H, 36, 108-9°; H, OMe, H, 25, 122-3°; H, H, OMe, 32, 99-100°; H, H, F, 20, 119-20°. Condensation of 0.02 mole 4,3-Cl(O2N)C6H3SO2NH2 (III) and 0.03 mole PhNH2 by fusing for 6 hrs. at 130° gave 71.8% I (R = NO2, R1 = SO2NH2, R2 = R3 = R4 = H), m. 179-80°. Other I (R = NO2, R1 = SO2NH2) were prepared similarly (R2, R3, R4, % yield, and m.p. given): Me, H, H, 84, 195-6°; H, Me, H, 85, 172-3°; H, H, Me, 90, 196-7°; OMe, H, H, 41, 225-6°; H, OMe, H, 91, 181-2°; H, H, OMe, 89, 226-7°; F, H, H, 61, 206-7°; H, F, H, 77, 195-6°; H, H, F, 80, 234-5°; Cl, H, H, 42, 202-3°; H, Cl, H, 80, 201-2°; H, H, Cl, 80, 241-2°; Br, H, H, 60, 200-1°; H, Br, H, 79, 207-8°; H, H, Br, 84, 235-6°; CF3, H, H, 40, 169-70°; H, CF3, H, 82, 210-11°; H, H, CF3, 29, 260-1°; H, H, SO2Me, 59, 253-4°. Condensation of 4.7 g. 2,5-Cl(O2N)C6H3SO2NH2 (IV) with 0.04 mole PhNH2 in 100 ml. boiling PhNO2 for 24 hrs. gave 68.4% I (R = SO2NH2, R1 = NO2, R2 = R3 = R4 = H), m. 175-6°. Other I (R = SO2NH2, R1 = NO2) were prepared similarly (R2, R3, R4, % yield, and m.p. given): OMe, H, H, 62, 205-8°; H, OMe, H, 59, 172-4°; H, H, OMe, 65, 160°; F, H, H, 60, 182-3°; H, F, H, 68, 173-4°; H, H, F, 71, 162-4°. A mixture of 25 g. 4,3-Cl(O2N)C6H3CO2H and 50 ml. SOCl2 was refluxed for 2 hrs., stripped of excess SOCl2, and treated with excess NH4OH to give 86.4% 4,3-Cl(O2N)C6H3CONH2, m. 154-5° (EtOH), which (0.02 mole) was condensed with 0.04 mole PhNH2 in EtOH containing NaOAc to give 34.4% I (R = NO2, R1 = CONH2, R2 = R3 = R4 = H), m. 194-5°. Other I were prepared similarly (R, R1, R2, R3, R4, % yield, and m.p. given): NO2, CONH2, OMe, H, H, 68, 144-5°; NO2, CONH2, H, OMe, H, 72, 170-1°; NO2, CONH2, H, H, OMe, 68, 220-1°; NO2, CONH2, F, H, H, 60, 169-71°; NO2, CONH2, H, F, H, 67, 191-2°; NO2, CONH2, H, H, F, 78, 207-8°; NO2, CONH2, H, H, SO2Me, 10, 244-5°; CONH2, NO2, H, H, H, 25, 184-5°; CONH2, NO2, OMe, H, H, 59, 215-16°; CONH2, NO2, H, OMe, H, 55, 198-9°; CONH2, NO2, H, H, OMe, 79, 216-17°; CONH2, NO2, F, H, H, 49, 184-5°; CONH2, NO2, H, F, H, 43, 233-4°; CONH2, NO2, H, H, F, 82, 231-2°; CONH2, NO2, H, H, SO2Me, 7, 207-8°. Esterification of 4,3-Cl(O2N)C6H3CO2H gave 4,3-Cl(O2N)C6H3CO2Et, m. 60-1° (EtOH), which was condensed with PhNH2 in boiling EtOH to give 92.8% I (R = NO2, R1 = CO2Et, R2 = R3 = R4 = H), m. 114-15°. Other I were prepared similarly (R, R1, R2, R3, R4, % yield, and m.p. given): NO2, CO2Et, OMe, H, H, 72, 116-18°; NO2, CO2Et, H, OMe, H, 70, 105-6°; NO2, CO2Et, H, H, OMe, 63, 128-9°; NO2, CO2Et, F, H, H, 15, 120-2°; NO2, CO2Et, H, F, H, 69, 79-80°; NO2, CO2Et, H, H, F, 52, 138-9°; NO2, CO2Et, H, H, SO2Me, 13, 149-50°; CO2Et, NO2, H, H, H, 29, 111-12°; CO2Et, NO2, OMe, H, H, 41, 112-13°; CO2Et, NO2, H, OMe, H, 46, 81-2°; CO2Et, NO2, H, H, OMe, 56, 120-2°; CO2Et, NO2, F, H, H, 18, 105°; CO2Et, NO2, H, F, H, 59, 119-20°; CO2Et, NO2, H, H, F, 34, 121-2°; CO2Et, NO2, H, H, SO2Me, 10, 189-90°; NO2, CF3, H, H, H, 63, 84°; NO2, CF3, OMe, H, H, 39, 123-4°; NO2, CF3, H, OMe, H, 81, 67-8°; NO2, CF3, H, H, OMe, 80, 85-6°; NO2, CF3, F, H, H, 76, 77-8°; NO2, CF3, H, F, H, 70, 93°; NO2, CF3, H, H, F, 54, 77-8°; NO2, CF3, H, H, SO2Me, 10, 149-50°. Nitration of p-ClC6H4SO2Me with KNO3 in concentrated H2SO4 at 80-5° for 3 hrs. gave 81.7% 4,3-Cl(O2N)C6H3SO2Me, m. 121-2° (20% aqueous alc.), which was condensed with PhNH2 to give 92% I (R = NO2, R1 = SO2Me, R2 = R3 = R4 = H), m. 130-1°. A solution of 15 g. 0-ClC6H4CN in fuming HNO3 was allowed to warm to room temperature from 0-4° in 1 hr., kept for 1 hr. at room temperature, and mixed with 600 ml. ice-water to give 81.8% 2,5-Cl(O2N)C6H3CN, m. 108° (EtOH), which was condensed with PhNH2 in the presence of NaOAc to give 78% I (R = CN, R1 = NO2, R2 = R3 = R4 = H), m. 159-60°. Similarly prepared was I (R = NO2, R1 = CN, R2 = R3 = R4 = H), m. 121-2°. A suspension of 21.7 g. 4,2-Br(O2N)C6H3NH2 in 85 ml. concentrated HCl at 0-4° was diazotized with NaNO2, stirred 1 hr. at 5°, mixed with 15 g. CuCl2 in 50 ml. concentrated HCl, warmed to 70° in 1 hr., and stirred for 30 min. at 70° and overnight at room temperature to give 50% 5,2-Br(Cl)C6H3NO2, m. 70-1° (20% aqueous alc.), which was condensed with PhNH2 to give 80.5% I (R = NO2, R1 = Br, R2 = R3 = R4 = H), m. 54-6°. Similarly prepared were I (R = Br, R1 = NO2, R2 = R3 = R4 = H), m. 111-12°. I (R = NO2, R1 = F, R2 = R3 = R4 = H), m. 120-1°, and I (R = F, R1 = NO2, R2 = R3 = R4 = H), m. 134°. Nitration of 4-ClC6H4CHO gave 80% 4,3-Cl(O2N)C6H3CHO, m. 65-6° (EtOH), which was condensed with PhNH2 in the presence of NaOAc to give a mixture of I (R = NO2, R1 = CHO, R2 = R3 = R4 = H), m. 147-8°, and 4,3-PhNH(O2N)C6H3CH:NPh, m. 108-9°. Similarly prepared was 2,5-PhNH(O2N)C6H3CHO, m. 182° (by-product and m. 132-3°). Attempted conversion of II with 2-, 3-, or 4-FC6H4NH2 or with 3-MeOC6H4NH2 in refluxing HCONMe2 gave 75-85% 2,4-Cl(O2N)C6H3NMe2, m. 78°. Similarly, III and 2- or 4-F3CC6H4NH2 in HCONMe2 gave 4,3-Me2N(O2N)C6H3SO2NH2, m. 133-4°, while IV with all arylamines in HCONMe2 gave 2,5-Me2N(O2N)C6H3SO2NH2, m. 147-8° (EtOH).

Here is a brief introduction to this compound(16588-26-4)Safety of 3-Bromo-4-chloronitrobenzene, if you want to know about other compounds related to this compound(16588-26-4), you can read my other articles.

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