Author: tianli

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.van der Aar, Ellen M.; de Groot, Marcel J.; Bouwman, Tialda; Bijloo, Greetje J.; Commandeur, Jan N. M.; Vermeulen, Nico P. E. researched the compound: 3-Bromo-4-chloronitrobenzene( cas:16588-26-4 ).Electric Literature of C6H3BrClNO2.They published the article 《4-Substituted 1-Chloro-2-nitrobenzenes: Structure-Activity Relationships and Extension of the Substrate Model of Rat Glutathione S-Transferase 4-4》 about this compound( cas:16588-26-4 ) in Chemical Research in Toxicology. Keywords: chloronitrobenzene glutathione transferase kinetics structure. We’ll tell you more about this compound (cas:16588-26-4).

In the present study, eleven 4-substituted 1-chloro-2-nitrobenzenes were tested for their GSH conjugation capacity when catalyzed by base or rat glutathione S-transferase (GST) 4-4. Kinetic parameters (ks and Km, kcat, and kcat/Km) were determined and subsequently used for the description of structure-activity relationships (SAR’s). For this purpose, eight physicochem. parameters (electronic, steric, and lipophilic) of the substituents and five computer-calculated parameters of the substrates (charge distributions and several energy values) were used in regression analyses with the kinetic parameters. The obtained SAR’s are compared with corresponding SAR’s for the GSH conjugation of 2-substituted 1-chloro-4-nitrobenzenes, previously determined [van der Aar et al. (1996) Chem. Res. Toxicol. 9, 527-534]. The kinetic parameters of the 4-substituted 1-chloro-2-nitrobenzenes correlated well with the Hammett σp- constant: the Hammett σp constant corrected for “”through resonance”” while the corresponding kinetic parameters of the 2-substituted 1-chloro-4-nitrobenzenes did not. The base- and GST 4-4-catalyzed GSH conjugation reactions of 2-substituted 1-chloro-4-nitrobenzenes depend to a different extent on the electronic properties of the ortho substituents, suggesting the involvement of different rate-limiting transition states. The base- and GST 4-4-catalyzed conjugation of 4-substituted 1-chloro-2-nitrobenzenes, however, showed a similar dependence on the electronic properties of the para substituents, indicating that these substrates are conjugated to GSH via a similar transition state. Multiple regression analyses revealed that, besides electronic interactions, also steric and lipophilic restrictions appeared to play an important role in the GST 4-4-catalyzed GSH conjugation of 4-substituted 1-chloro-2-nitrobenzenes. Finally, the 4-substituted 1-chloro-2-nitrobenzenes were also used to extend the previously described substrate model for GST 4-4 [De Groot et al. (1995) Chem. Res. Toxicol. 8, 649-658], by which a specific steric restriction of substrates for GST 4-4 became clear.

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Electric Literature of C12H13BrN2O2. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: tert-Butyl 5-bromo-1H-indazole-1-carboxylate, is researched, Molecular C12H13BrN2O2, CAS is 651780-02-8, about The Suzuki reaction applied to the synthesis of novel pyrrolyl and thiophenyl indazoles. Author is Migliorini, Antonella; Oliviero, Chiara; Gasperi, Tecla; Loreto, Maria Antonietta.

The paper describes the Suzuki cross-coupling of a variety of N and C-3 substituted 5-bromoindazoles with N-Boc-2-pyrrole- and 2-thiopheneboronic acids. The reactions, performed in the presence of K2CO3, dimethoxyethane, and Pd(dppf)Cl2 as catalyst, gave the corresponding adducts in good yields. The methodol. allows the facile production of indazole-based heteroaryl compounds, a unique architectural motif that is ubiquitous in biol. active mols.

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Reinholdt, Anders; Jafari, Mehrafshan G.; Sandoval-Pauker, Christian; Ballestero-Martinez, Ernesto; Gau, Michael R.; Driess, Matthias; Pinter, Balazs; Mindiola, Daniel J. published the article 《Phosphorus and Arsenic Atom Transfer to Isocyanides to Form π-Backbonding Cyanophosphide and Cyanoarsenide Titanium Complexes》. Keywords: phosphorus arsenic atom transfer isocyanide backbonding cyanophosphide cyanoarsenide titanium; pyrazolylborato titanium vanadium cyanophosphide trimethylaluminum complex preparation crystal structure; cyanoarsenide titanium vanadium pyrazolylborato complex preparation mol structure calculation; atom transfer; isocyanides; phosphaethynolate; phosphorus; titanium.They researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Quality Control of Dichloro(1,5-cyclooctadiene)platinum(II). 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:12080-32-9) here.

Decarbonylation along with E atom transfer from Na(OCE) (E = P, As) to an isocyanide coordinated to the tetrahedral TiII complex [(TptBu,Me)TiCl], yielded the [(TptBu,Me)Ti(η3-ECNAd)] species (Ad = 1-adamantyl, TptBu,Me- = hydrotris(3-tert-butyl-5-methylpyrazol-1-yl)borate). In the case of E = P, the cyanophosphide ligand displays nucleophilic reactivity toward Al(CH3)3; moreover, its bent geometry hints to a reduced Ad-NCP3- resonance contributor. The analogous and rarer mono-substituted cyanoarsenide ligand, Ad-NCAs3-, shows the same unprecedented coordination mode but with shortening of the N:C bond. As opposed to TiII, VII fails to promote P atom transfer to AdNC, yielding instead [(TptBu,Me)V(OCP)(CNAd)]. Theor. studies revealed the rare ECNAd moieties to be stabilized by π-backbonding interactions with the former TiII ion, and their assembly to most likely involve a concerted E atom transfer between Ti-bound OCE- to AdNC ligands when studying the reaction coordinate for E = P.

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Recommanded Product: Pyridine-3,5-dicarbonitrile. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Pyridine-3,5-dicarbonitrile, is researched, Molecular C7H3N3, CAS is 1195-58-0, about Electron-Deficient Heteroarenium Salts: An Organocatalytic Tool for Activation of Hydrogen Peroxide in Oxidations. Author is Sturala, Jiri; Bohacova, Sona; Chudoba, Josef; Metelkova, Radka; Cibulka, Radek.

A series of monosubstituted pyrimidinium and pyrazinium triflates and 3,5-disubstituted pyridinium triflates were prepared and tested as simple catalysts of oxidations with hydrogen peroxide, using sulfoxidation as a model reaction. Their catalytic efficiency strongly depends on the type of substituent and is remarkable for derivatives with an electron-withdrawing group, showing reactivity comparable to that of flavinium salts which are the prominent organocatalysts for oxygenations. Because of their high stability and good accessibility, 4-(trifluoromethyl)pyrimidinium and 3,5-dinitropyridinium triflates are the catalysts of choice and were shown to catalyze oxidation of aliphatic and aromatic sulfides to sulfoxides, giving quant. conversions, high preparative yields and excellent chemoselectivity. The high efficiency of electron-poor heteroarenium salts is rationalized by their ability to readily form adducts with nucleophiles, as documented by low pKR+ values (pKR+ < 5) and less neg. reduction potentials (Ered > -0.5 V). Hydrogen peroxide adducts formed in situ during catalytic oxidation act as substrate oxidizing agents. The Gibbs free energies of oxygen transfer from these heterocyclic hydroperoxides to thioanisole, obtained by calculations at the B3LYP/6-311++g(d,p) level, showed that they are much stronger oxidizing agents than alkyl hydroperoxides and in some cases are almost comparable to derivatives of flavin hydroperoxide acting as oxidizing agents in monooxygenases.

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 12080-32-9, is researched, Molecular C8H12Cl2Pt, about Synthesis and metal complexes of a tertiary phosphine, 2-(2-(diphenylphosphaneyl)-1H-imidazol-1-yl)pyridine containing pyridyl and imidazole moieties, the main research direction is transition metal phosphino imidazolylpyridine complex preparation crystal structure.Application of 12080-32-9.

A tertiary phosphine, [2-{PPh2C3H2N2}C5H4N] (2), containing both imidazole and pyridine moieties was synthesized by the reaction of 2-(1H-imidazol-1-yl)pyridine (1) with BuLi followed by the addition of PPh2Cl. Reactions of 2 with Group 6 metal carbonyls and Group 10 metal salts resulted in chelate complexes [{2-{PPh2C3H2N2}C5H4N}{M(CO)4}] (3, M = Mo; 4, M = W) and [{2-{PPh2C3H2N2}C5H4N}{MCl2}] (5, M = Pd; 6, M = Pt). However, 1:1 reactions of 2 with CuX (X = Cl, Br, I) yielded dinuclear complexes [{2-{PPh2C3H2N2}C5H4N}{CuX}]2 (7, X = Cl; 8, X = Br; 9, X = I) containing [Cu(μ-X)]2 rhombus units, whereas the reaction between 2 and [Cu(NCMe)4]BF4 produced a spirocyclic complex, [{2-{PPh2C3H2N2}C5H4N}2Cu]BF4 (10). The mol. structures of complexes 4, 6 and 8 were determined using x-ray diffraction studies. Upon coordination, the bite angle of the ligand varies from 78.76(6)° (4) to 96.16(2)° (8) due to inherent flexibility associated with the ligand framework as well as the geometries preferred by the metal atoms.

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Quality Control of 1-(4-Chlorophenyl)pyrrolidin-2-one. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Selective Copper-Catalyzed N-Arylation of Lactams with Arylboronic Acids under Base- and Ligand-Free Conditions. Author is Bathini, Thulasiram; Rawat, Vikas Singh; Sreedhar, Bojja.

An oxidative copper-catalyzed cross-coupling of arylboronic acids with various ring-size lactams has been developed. The N-arylated lactams were obtained in moderate to excellent yields without any addnl. bases, ligands, or additives. This reaction shows complete selectivity for N-arylation of lactams in the presence of a hydroxyl group.

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SDS of cas: 12080-32-9. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Phosphorylation of 1,4:3,6-Dianhydro-D-sorbitol. Author is Anfilov, K. L.; Kurochkina, G. I.; Bratash, G. S.; Grachev, M. K..

Regioselective mono- and diphosphorylation of 1,4:3,6-dianhydro-D-sorbitol containing two hydroxyl groups differing in steric availability has been studied. The nature of the amine acting as activator and acceptor of hydrogen chloride have had significant impact on the direction of phosphorylation and the structure of the resulting products.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Bidentate Disilicate Framework for Bis-Grafted Surface Species, the main research direction is silica supported platinum bidentate disilicate complex preparation; platinum bidentate disilicate complex preparation crystal structure graft silica; mol structure platinum bidentate disilicate complex; bis-grafted surface species; disilicate ligands; grafting on silicon atoms; six-membered rings; surface organometallic chemistry.Recommanded Product: 12080-32-9.

Recent advances in surface organometallic chem. have enabled the detailed characterization of the surface species in single-site heterogeneous catalysts. However, the selective formation of bis-grafted surface species remains challenging because of the heterogeneity of the supporting surface. Herein, the authors introduce a metal complex bearing bidentate disilicate ligands, -OSi(OtBu)2OSi(OtBu)2O-, as a mol. precursor, which has a silicate framework adjacent to the metal (Pt) center. The grafting of the precursors on SiO2 supports (MCM-41 and CARiACT Q10) proceeded through a substitution reaction on the Si atoms of the disilicate ligand, which was verified by the detection of isobutene and tBuOH as the elimination products, to selectively yield bis-grafted surface species. The chem. structure of the surface species was characterized by solid-state NMR, and the chem. shift values of the ancillary ligands and 195Pt nuclei suggested that the bidentate coordination sphere was maintained following grafting.

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Category: alcohols-buliding-blocks. 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: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Decrease in intestinal permeability to polyethylene glycol 1000 during development in the pig. Author is Westroem, B. R.; Tagesson, C.; Leandersson, P.; Folkesson, H. G.; Svendsen, J..

Changes in intestinal permeability during postnatal development in the pig were investigated by using different-sized polyethylene glycols (PEGs) in the Mr 766-1338 range (PEG 1000) as permeability probes. Pigs of varying age, newborn (0 h), 36-45 h old, and 22-28 days old, were gavage-fed PEG 1000 together with the macromol. markers bovine serum albumin, ovalbumin, or FITC-labeled dextran 70,000. The 4-h blood serum concentrations of the different markers were determined and taken as an estimate of their intestinal transmission. In the newborn pigs, high serum levels of PEGs were obtained, concomitant with high serum levels of bovine serum albumin and FITC-dextran. After intestinal macromol. closure in the 36-45 h-old pigs, lower serum PEG levels were found, especially of those with a Mr > 1100 Da. In the 22-28 day-old pigs, PEG levels were reduced to ≤10% of those in the 36-45-h-old pigs, with the levels decreasing markedly with increasing mol. size. These results show that there is a correlation between the intestinal permeability of PEGs, especially those >1100 Da, and macromols. in the newborn pig around intestinal closure, suggesting that such PEGs traverse the gut by the macromol. route. During later development, further intestinal maturation results in a markedly reduced permeability to PEG 1000.

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Related Products of 7661-33-8. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Copper-catalyzed C-N coupling of amides and nitrogen-containing heterocycles in the presence of cesium fluoride. Author is Phillips, Dean P.; Zhu, Xue-Feng; Lau, Thomas L.; He, Xiaohui; Yang, Kunyong; Liu, Hong.

The copper-catalyzed C-N coupling of amides to aryl halides usually requires the use of strong alkali metal bases, such as K2CO3, K3PO4, and Cs2CO3, at high temperature We discovered that CsF is sufficiently basic to promote the cross-coupling of amides and carbamates with aryl halides. Most aryl iodides coupled in high yield at room temperature This alternative base may be a suitable replacement for substrates that are incompatible with high temperature and strongly basic conditions and can further enhance the chemoselectivity of this reaction.

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