Author: tianli

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 Structure-activity relationships for chemical and glutathione S-transferase-catalyzed glutathione conjugation reactions of a series of 2-substituted 1-chloro-4-nitrobenzenes.Safety of 3-Bromo-4-chloronitrobenzene.

Glutathione S-transferases (GSTs) constitute an important class of phase II (de)toxifying enzymes, catalyzing the conjugation of glutathione (GSH) with electrophilic compounds In the present study, Km, kcat and kcat/Km values for the rat GST 1-1-, 3-3-, 4-4- and 7-7-catalyzed conjugation reactions between GSH and a series of 10 different 2-substituted 1-chloro-4-nitrobenzenes, and the second-order rate constants (ks) of the corresponding base-catalyzed reactions, were correlated with nine classical physico-chem. parameters (electronic, steric and lipophilic) of the substituents and with 16 computer-calculated mol. parameters of the substrates and of the corresponding Meisenheimer complexes with MeS- as a model nucleophile for GS- (charge distributions and several energy values), giving structure-activity relationships. On the basis of an identical dependence of the base-catalyzed as well as the GST 1-1- and GST 7-7-catalyzed reactions on electronic parameters (among others, Hammett substituent constant σp and charge on p-nitro substituents), and the finding that the corresponding reactions catalyzed by GSTs 3-3 and 4-4 depend to a significantly lesser extent on these parameters, it was concluded that the Mu-class GST isoenzymes have a rate-determining transition state in the conjugation reaction between 2-substituted 1-chloro-4-nitrobenzenes and GSH which is different from that of the other two GSTs. Several alternative rate-limiting transition states for GST 3-3 and 4-4 are discussed. Furthermore, based on the obtained structure-activity relationships, it was possible to predict the kcat/Km values of the four GST isoenzymes and the ks of the base-catalyzed GSH conjugation of 1-chloro-4-nitrobenzene.

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Category: alcohols-buliding-blocks. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Dinuclear Copper(I) Complexes as Precatalysts in Ullmann and Goldberg Coupling Reactions.

The use of structurally well-characterized Cu(I) species as precatalysts in C-N and C-S bond forming reactions is described. Two new dinuclear Cu(I) complexes containing two isomeric ligands of bis(7-azaindolyl)methane were synthesized and fully characterized by NMR and x-ray diffraction studies. Both Cu(I) species exhibit a 1:1 Cu/L ratio and were used as precatalysts in the N-arylation of 2-pyrrolidinone and S-arylation of thiols with aryl iodides. The complexes efficiently catalyze these cross-coupling reactions, affording high yields of products under mild conditions.

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Name: 3-Bromo-4-chloronitrobenzene. 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 Cobalt-Catalyzed C-N Bond-Forming Reaction between Chloronitrobenzenes and Secondary Amines. Author is Toma, Gabriel; Yamaguchi, Ryohei.

Cyclic secondary amines react with mono- or dichloronitrobenzenes in the presence of a catalytic amount of cobalt(II) chloride. Phosphane ligands are beneficial for the reaction, although the bite-angle effect was not strong. The resulting nitro-substituted tertiary amines are important as bioactive compounds and can also be intermediates for the synthesis of substituted anilines. This work represents the first cobalt-catalyzed approach to C-N bond-forming reactions involving aromatic chlorides and cyclic secondary amines. The reaction is ortho- and para-selective, with meta-substituted halides being unreactive in this procedure.

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Application In Synthesis of 3-Bromo-4-chloronitrobenzene. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Gold-catalyzed direct hydrogenative coupling of nitroarenes to synthesize aromatic azo compounds. Author is Liu, Xiang; Li, Hai-Qian; Ye, Sen; Liu, Yong-Mei; He, He-Yong; Cao, Yong.

The azo linkage is a prominent chem. motif which has found numerous applications in materials science, pharmaceuticals, and agrochems. Described herein is a sustainable heterogeneous-gold-catalyzed synthesis of azo arenes. Available nitroarenes are deoxygenated and linked selectively by the formation of N-N bonds using mol. H2 without any external additives. As a result of a unique and remarkable synergy between the metal and support, a facile surface-mediated condensation of nitroso and hydroxylamine intermediates is enabled, and the desired transformation proceeds in a highly selective manner under mild reaction conditions. The protocol tolerates a large variety of functional groups and offers a general and versatile method for the environmentally friendly synthesis of sym. or asym. aromatic azo compounds © 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Synlett called Tribromoisocyanuric acid in trifluoroacetic acid: an efficient system for smooth brominating of moderately deactivated arenes, Author is de Almeida, Leonardo S.; de Mattos, Marcio C. S.; Esteves, Pierre M., which mentions a compound: 16588-26-4, SMILESS is BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl, Molecular C6H3BrClNO2, Safety of 3-Bromo-4-chloronitrobenzene.

Moderately deactivated arenes are efficiently brominated by the reaction with tribromoisocyanuric acid (0.34 mol equiv) in trifluoroacetic acid at room temperature in 48-85% isolated yield. This medium avoids the polybromination of the substrate, observed in the same reaction performed in 98% H2SO4.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Journal of Organic Chemistry called Indazoles: Regioselective Protection and Subsequent Amine Coupling Reactions, Author is Slade, David J.; Pelz, Nicholas F.; Bodnar, Wanda; Lampe, John W.; Watson, Paul S., which mentions a compound: 651780-02-8, SMILESS is CC(C)(C)OC(=O)N1N=CC2=CC(Br)=CC=C12, Molecular C12H13BrN2O2, Reference of tert-Butyl 5-bromo-1H-indazole-1-carboxylate.

Indazoles are unselectively protected under strongly basic conditions to give a mixture at positions N-1 and N-2. Under mildly acidic conditions, regioselective protection at N-2 takes place. Thermodn. conditions lead to regioselective protection at N-1. This trend applies to various substituted indazoles. Protected 5-bromoindazoles participate in Buchwald reactions with a range of amines to generate novel derivatives

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Lu, Hongtao; Geng, Zhiyue; Li, Jingya; Zou, Dapeng; Wu, Yusheng; Wu, Yangjie published the article 《Metal-Free Reduction of Aromatic Nitro Compounds to Aromatic Amines with B2pin2 in Isopropanol》. Keywords: metal free aromatic nitro reduction bispinacolato diboron isopropanol; aromatic amine preparation green chem.They researched the compound: 3-Bromo-4-chloronitrobenzene( cas:16588-26-4 ).Category: alcohols-buliding-blocks. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:16588-26-4) here.

A metal-free reduction of aromatic nitro compounds to the corresponding amines has been achieved by a combination of B2pin2 and KOtBu in isopropanol. A series of nitro compounds containing various reducible functional groups were chemoselectively reduced in good to excellent yields.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: tert-Butyl 5-bromo-1H-indazole-1-carboxylate( cas:651780-02-8 ) is researched.Application of 651780-02-8.Gulledge, Zachary Z.; Carrick, Jesse D. published the article 《Deprotection of N-tert-Butoxycarbonyl (Boc) Protected Functionalized Heteroarenes via Addition-Elimination with 3-Methoxypropylamine》 about this compound( cas:651780-02-8 ) in European Journal of Organic Chemistry. Keywords: Boc protected heteroarene preparation deprotection methoxypropylamine. Let’s learn more about this compound (cas:651780-02-8).

Continued pursuit of functionalized soft-N-donor complexant scaffolds with favorable solubility and kinetics profiles applicable for the separation of the trivalent minor actinides from the lanthanides has attracted significant interest over the last three decades. Recent work from this laboratory resulted in the production of various N-Boc protected [1,2,4]triazinyl-pyridin-2-yl indole Lewis basic procomplexants which necessitated the removal of the indole N-Boc protecting group prior to evaluation of complexant efficacy in separations assays. Traditional deprotection strategies involving trifluoroacetic and other protic and Lewis acids proved unsuccessful in removal of the recalcitrant indole-N-Boc protecting group necessitating the development of a new strategy for deprotection of this complexant class. A serendipitous result facilitated utilization of 3-methoxypropylamine as a mild deprotecting agent for various N-Boc protected heteroarenes via a proposed addition-elimination mechanism. Method development, application to various heteroarenes including indoles, 1,2-indazoles, 1,2-pyrazoles, and related derivatives, a ten-fold scale-up reaction, and exptl. evaluation of a preliminary mechanistic hypothesis are reported herein.

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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Enzyme kinetics and substrate selectivities of rat glutathione S-transferase isoenzymes towards a series of new 2-substituted 1-chloro-4-nitrobenzenes, published in 1996-02-29, which mentions a compound: 16588-26-4, Name is 3-Bromo-4-chloronitrobenzene, Molecular C6H3BrClNO2, Product Details of 16588-26-4.

1. Four different rat glutathione S-transferase (GST) isoenzymes, belonging to three different classes, were examined for their GSH conjugating capacity towards 11 2-substituted 1-chloro-4-nitrobenzene derivatives Significant differences were found in their enzyme kinetic parameters Km, kcat and kcat/Km. 2. Substrates with bulky substituents on the ortho-position appeared to have high affinities (low Km’s) for the active site of the GST-isoenzymes, suggesting that there is sufficient space in this area of the active site. A remarkably high Km (low affinity) was found for 2-chloro-5-nitropyridine towards all GST-isoenzymes examined 3. GST 3-3 catalyzed the reaction between GSH and the substrates most efficiently (high kcat) compared with the other GST-isoenzymes. Moreover, GST 3-3 showed clear substrate selectivities towards the substrates with a trifluoromethyl- chlorine- and bromine-substituent. 1-Chloro-2,4-dinitrobenzene and 2-chloro-5-nitrobenzonitrile were most efficiently conjugated by all four GST-isoenzymes examined 4. When the rate of the conjugation reactions was followed, a linear increase of formation of GS-conjugate could be seen for 2-chloro-5-nitrobenzonitrile during a much longer period of time than for 1-chloro-2,4-dinitrobenzene with all GST-isoenzymes examined Therefore, it is suggested that 2-chloro-5-nitrobenzonitrile might be recommended as an alternative model substrate in GST-research.

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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: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Iridium(III)-catalyzed regioselective direct arylation of sp2 C-H bonds with diaryliodonium salts.Recommanded Product: 1-(4-Chlorophenyl)pyrrolidin-2-one.

A regioselective direct arylation of arenes and olefins with aryliodonium salts at the ortho position to provide biaryl compounds, e.g., I was reported. The key to the high selectivity was the appropriate choice of aryliodonium salts as the arylating reagent in presence of a cationic iridium(III) catalyst. The coordination of the metal with an oxygen atom or a nitrogen atom and subsequent C-H activation allowed for direct arylation with coupling partners. This reaction proceeded under mild reaction conditions and with a high tolerance of various functional groups including many halide functional groups.

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