Month: April 2022

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 A β-Keto Ester as a Novel, Efficient, and Versatile Ligand for Copper(I)-Catalyzed C-N, C-O, and C-S Coupling Reactions, published in 2007-05-11, which mentions a compound: 7661-33-8, Name is 1-(4-Chlorophenyl)pyrrolidin-2-one, Molecular C10H10ClNO, Formula: C10H10ClNO.

Employing Et 2-oxocyclohexanecarboxylate as a novel, efficient, and versatile ligand, the copper-catalyzed coupling reactions of various N/O/S nucleophilic reagents with aryl halides could be successfully carried out under mild conditions. A variety of products including N-arylamides, N-arylimidazoles, aryl ethers, and aryl thioethers were synthesized in good to excellent yields.

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Formula: C8H12Cl2Pt. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Classics Meet Classics: Theoretical and Experimental Studies of Halogen Bonding in Adducts of Platinum(II) 1,5-Cyclooctadiene Halide Complexes with Diiodine, Iodoform, and 1,4-Diiodotetrafluorobenzene. Author is Bulatova, Margarita; Ivanov, Daniil M.; Haukka, Matti.

Complexes of PtX2COD (X = Cl, Br, I; COD = 1,5-cyclooctadiene) were cocrystd. with classical halogen-bond donors (CHI3, I2, and 1,4-diiodotetrafluorobenzene (FIB)), resulting in noncovalently bound supramol. aggregates of various lengths-from heterotrimers to polymers. The influence of halides in the complexes on the geometry and strength of the halogen bond (XB) was studied both exptl. by single-crystal XRD and theor. by quantum chem. methods such as noncovalent interaction plots (NCI-plot), electrostatic potential (ESP) surface anal., and a combination of electron localization function (ELF) and quantum theory of atoms in mols. (QTAIM) analyses. It was shown that strength of XB interactions in the adducts increases in the order CHI3 > FIB > I2. Although halogen bonding was found to be the main preorganizing force in the structures, in the case of FIB adducts a rare Pt···I interaction was involved in addnl. stabilization of the structure. Hence, fine-tuning of halogen bonding can influence the length of the polymer, as well as the strength and directionality of interactions in the adduct. Since Hassel’s already classical work on charge-transfer interactions, halogen bonding has attracted a great deal of attention as a potentially useful instrument to organize mols. Due to the tunability, relative strength, and directionality, halogen bonding has been used as a self-assembly tool in crystal engineering. In this study classics meet classics: classical halogen bond donors XBD (such as mol. iodine, iodoform, and FIB) and classical synthons PtX2COD were used to create metallopolymeric adducts. In the obtained systems the XBD influenced the geometry (1D or 2D) and the length (heterotrimer or polymer) of the adduct. To understand differences among the obtained systems, they were further studied with computational methods, and addnl. stabilizing weak interactions were discovered. Caution: COD is hazardous to health and should be handled with care.

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Quality Control of 3-Bromo-4-chloronitrobenzene. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about In Situ Synthesized Silica-Supported Co@N-Doped Carbon as Highly Efficient and Reusable Catalysts for Selective Reduction of Halogenated Nitroaromatics. Author is Sheng, Yao; Wang, Xueguang; Yue, Shengnan; Cheng, Gonglin; Zou, Xiujing; Lu, Xionggang.

Silica-supported Co@N-doped carbon (Co@CN/SiO2) catalysts were first prepared by a one-step impregnation with a mixed solution of cobalt nitrate, glucose and urea, followed by in situ carbonization and reduction The Co@CN/SiO2 catalysts were investigated for the selective reduction of nitro aromatics RNO2 (R = Ph, 4,5-dichloro-2-nitroaniline, 2-chloro-3-nitropyridine, etc.) to the corresponding anilines RNH2 using hydrazine hydrate. The Co@CN/SiO2-500 carbonized at 500°C exhibited the highest catalytic activity and excellent stability without any decay of activity after 6 cycles for the reduction of nitrobenzene. Both metallic Co atoms and Co-N species formed in the Co@CN/SiO2 catalysts were active, but the Co-N species were dominant active sites. The high activities of the Co@CN/SiO2 catalysts were attributed to the synergistic effect between the Co and N atoms, promoting heterolytic cleavage of hydrazine to form H+/H- pairs. Representative examples demonstrated that the Co@CN/SiO2-500 could completely transform various halogen-substituted nitro aromatics to the corresponding halogenated anilines with high TOFs and selectivity of >99.5%.

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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: 5-Methoxy-4-methylpyridin-3-amine, is researched, Molecular C7H10N2O, CAS is 77903-28-7, about A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.Electric Literature of C7H10N2O.

Chemokine receptor 9 (CCR9), a cell surface chemokine receptor which belongs to the G protein-coupled receptor, 7-trans-membrane superfamily, is expressed on lymphocytes in the circulation and is the key chemokine receptor that enables these cells to target the intestine. It has been proposed that CCR9 antagonism represents a means to prevent the aberrant immune response of inflammatory bowel disease in a localized and disease specific manner and one which is accessible to small mol. approaches. One possible reason why clin. studies with vercirnon, a prototype CCR9 antagonist, were not successful may be due to a relatively poor pharmacokinetic (PK) profile for the mol. We wish to describe work aimed at producing new, orally active CCR9 antagonists based on the 1,3-dioxoisoindoline skeleton. This study led to a number of compounds that were potent in the nanomolar range and which, on optimization, resulted in several possible preclin. development candidates with excellent PK properties.

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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 Gold-catalyzed direct hydrogenative coupling of nitroarenes to synthesize aromatic azo compounds, published in 2014, which mentions a compound: 16588-26-4, mainly applied to nitroarene hydrogenative coupling gold catalyst; diphenyldiazene green preparation; arenes; azo compounds; gold; reduction; supported catalysts, Application In Synthesis of 3-Bromo-4-chloronitrobenzene.

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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Safety of 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 Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Author is Labadie, Sharada; Dragovich, Peter S.; Chen, Jinhua; Fauber, Benjamin P.; Boggs, Jason; Corson, Laura B.; Ding, Charles Z.; Eigenbrot, Charles; Ge, HongXiu; Ho, Qunh; Lai, Kwong Wah; Ma, Shuguang; Malek, Shiva; Peterson, David; Purkey, Hans E.; Robarge, Kirk; Salphati, Laurent; Sideris, Steven; Ultsch, Mark; VanderPorten, Erica; Wei, BinQing; Xu, Qing; Yen, Ivana; Yue, Qin; Zhang, Huihui; Zhang, Xuying; Zhou, Aihe.

Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enone using structure-based design strategies resulted in inhibitors with considerable improvement in biochem. potency against human lactate dehydrogenase A (LDHA). These potent inhibitors were typically selective for LDHA over LDHB isoform (4-10 fold) and other structurally related malate dehydrogenases, MDH1 and MDH2 (>500 fold). An X-ray crystal structure of enzymically most potent mol. bound to LDHA revealed two addnl. interactions associated with enhanced biochem. potency.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Nucleophilic substitution of aromatic chlorine in diazonium ions by bromide ions》. Authors are Lamm, Bo.The article about the compound:3-Bromo-4-chloronitrobenzenecas:16588-26-4,SMILESS:BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl).Related Products of 16588-26-4. Through the article, more information about this compound (cas:16588-26-4) is conveyed.

To determine why a Cl atom in a suitably substituted diazonium ion should not be replaced by a Br- ion, the reaction of 2-chloro-5-nitrobenzenediazonium ion in an HBr-AcOH-H2O medium at 25° was studied. It was found that some of the aromatic Cl is “”frozen in”” and no quant. conversion of aromatic Cl to Br can occur; the reverse reactions are considerably more rapid than the forward ones, so that a small amount of Cl- ions generated in the exchange reaction produces an equilibrium containing comparable amounts of each, despite the large excess of HBr; and the equilibrium is continually being disturbed by the side-reactions, which cannot be suppressed by increasing the Br- ion concentration

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Dichloro(1,5-cyclooctadiene)platinum(II)(SMILESS: C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-],cas:12080-32-9) is researched.SDS of cas: 1798-99-8. The article 《Understanding Doping Effects on Electronic Structures of Gold Superatoms: A Case Study of Diphosphine-Protected M@Au12 (M = Au, Pt, Ir)》 in relation to this compound, is published in Inorganic Chemistry. Let’s take a look at the latest research on this compound (cas:12080-32-9).

Dopants into ligand-protected Au superatoms have been hitherto limited to group X-XII elements (Pt, Pd, Ag, Cu, Hg, and Cd). To expand the scope of the dopants to the group IX elements, the authors synthesized unprecedented [IrAu12(dppe)5Cl2]+ [IrAu12; dppe = 1,2-bis(diphenylphosphino)ethane] and [PtAu12(dppe)5Cl2]2+ (PtAu12) and compared their electronic structures with that of [Au13(dppe)5Cl2]3+ (Au13). Single-crystal x-ray diffractometry, 31P{1H} NMR, and Ir L3-edge extended X-ray absorption fine structure anal. of IrAu12 revealed that the single Ir atom is located at the center of the icosahedral IrAu12 core. Electrochem. anal. demonstrated that the energy levels of the highest occupied MOs are upshifted in the order of Au13 < PtAu12 < IrAu12. This trend was qual. explained in such a manner that the jellium core potential at the central position becomes shallower by replacing Au+ with Pt0 and further with Ir-. IrAu12 underwent reversible redox reactions between the charge states of 1+ and 2+. The gradual increase of the energy gap between the HOMO and LUMO in the order of Au13 < PtAu12 < IrAu12 was observed by electrochem. measurement and optical spectroscopy. This study provides a simple guiding principle to tune the electronic structures of heterometal-doped superatoms. The orbital energies of [IrAu12(dppe)5Cl2]+ (IrAu12) and [PtAu12(dppe)5Cl2]2+ (PtAu12) were compared with those of [Au13(dppe)5Cl2]3+ (Au13) by electrochem. anal. The superat. orbitals were shifted up in the order of IrAu12 > PtAu12 > Au13. The result was explained by the upshift of the bottom of the effective potential due to different formal charge states of the dopants. Whereas Au was incorporated as Au+, Ir and Pt were incorporated as Ir- and Pt0, resp.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Pyridine-3,5-dicarbonitrile, is researched, Molecular C7H3N3, CAS is 1195-58-0, about Vapor-phase oxidation and oxidative ammonolysis of some alkylpyridines on a vanadium-iron catalyst, the main research direction is alkylpyridine oxidation ammonolysis iron vanadium catalyst; cyanopyridine.Recommanded Product: Pyridine-3,5-dicarbonitrile.

Optimum conditions were determined for gas-phase oxidation and oxidative ammonolysis for each of 4 alkylpyridines (2- and 3-picoline, 2-methyl-5-ethylpyridine, 3,5-lutidine) over the catalyst 2V2O5·Fe2O3 in the presence or absence of H2O. At best, overall selectivity for oxygen- and nitrogen-containing derivatives (e.g., cyanopyridines) of pyridine reached 80-90%.

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Name: Dichloro(1,5-cyclooctadiene)platinum(II). 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: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about C-C* Platinum(II) Complexes with Electron-Withdrawing Groups and Beneficial Auxiliary Ligands: Efficient Blue Phosphorescent Emission.

Cyclometalated arylimidazolylidene platinum complexes with diketonate and dipyrazolylborate auxiliary ligands were prepared and examined for photoluminescence and photophys. properties. The combination of strong electron-withdrawing groups in cyclometalated N-heterocyclic carbene ligands (C-C*) with known beneficial auxiliary ligands in phosphorescent platinum(II) complexes leads to efficient light-to-deep-blue emission with quantum yields of up to 92%. All compounds were characterized and investigated regarding their photophys., electrochem., and thermal properties, and three complexes could addnl. be characterized by solid-state structures. D. functional theory calculations (PBE0/6-311G* with dispersion correction) are reported.

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