Author: tianli

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.COA of Formula: C5H3IO2. The article 《Reactions of [Ru6(μ6–C)(C6H5CH3)(CO)14]: Synthesis of some new Ru-Pt carbonyl clusters and diphosphine substitution》 in relation to this compound, is published in Journal of Organometallic Chemistry. Let’s take a look at the latest research on this compound (cas:12080-32-9).

Three new RuPt clusters [Ru6Pt(μ6-C)(C6H5CH3)(CO)13(COD)] (2), [Ru6Pt(μ6-C)(C6H5CH3)(CO)14(PPh3)] (3) and [Ru6Pt2(μ6-C)(C6H5CH3)(CO)13(PPh3)3] (4) were obtained from the reaction of [Ru6(μ6-C)(C6H5CH3)(CO)14] (1) with two different Pt precursors. Both 2 and 3 consists of a Ru6Pt cluster with face capped octahedron metal core, whereas, 4 has a unique Ru6Pt2 cluster core structure with doubly capped octahedron. Further, CO substitution behavior of 1 was studied with diphosphine ligands, which results in the formation of mono and bi substituted products, which also show the removal of the toluene cap by the dppe ligand. All the compounds were characterized structurally by x-ray diffraction anal.

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Computed Properties of C10H10ClNO. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Efficient ligand-free copper-catalyzed N-arylation of amides with aryl halides in water. Author is Yong, Fui-Fong; Teo, Yong-Chua; Chua, Guan-Leong; Lim, Gina Shi-Yun; Lin, Yi-Zhen.

A convenient and efficient protocol has been developed for the cross-coupling of amides and aryl iodides using a ligand-free copper(I) oxide catalyst in water. A variety of amide derivatives afforded the corresponding N-arylated products in moderate to good yields (up to 88%).

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Acid- and base-dependent hydrolysis of N-(sulfonatooxy)-3-bromoacetanilide: involvement of N-(3-bromophenyl)hydroxylamine O-sulfonate, the main research direction is hydrolysis sulfonatooxybromoacetanilide kinetics; catalysis acid base hydrolysis sulfonatooxybromoacetanilide; bromophenylhydroxylamine sulfonate hydrolysis intermediate; carcinogenic metabolite model.Recommanded Product: 16588-26-4.

The title compound (I) undergoes hydrolysis at 80° and pH 1.0-8.0 by acid- and base-dependent processes and by an uncatalyzed path. The uncatalyzed reaction exhibits the same characteristics as the uncatalyzed N-O bond-cleavage reactions of the more reactive N-(sulfonatooxy)acetanilides. The pH-dependent paths involve the hydrolysis of I to form N-(3-bromophenyl)hydroxylamine O-sulfonate (II). II cannot be directly detected under the conditions of this study, but its existence can be inferred from product study and trapping data. Although II undergoes decomposition entirely by heterolytic N-O bond cleavage to yield m-BrC6H4N+H (III), a less reactive analog of II, i.e., N-(3-bromophenyl)-O-pivaloylhydroxylamine (IV), apparently undergoes competitive homolytic and heterolytic N-O bond cleavage to yield both m-NHC6H4Br radical and III. Both II and IV serve as models for certain suspected carcinogenic metabolites of polycyclic aromatic amines and amides.

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Kuthan, Josef; Skala, Vratislav published the article 《Dihydropyridines. XVIII. Atom localization energies of monocyanopyridines and symmetrical dicyanopyridines》. Keywords: cyanopyridines localization energy; localization energy cyanopyridines.They researched the compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0 ).Recommanded Product: Pyridine-3,5-dicarbonitrile. 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:1195-58-0) here.

Satisfactory agreement was found between the exptl. data of nucleophilic and homolytic reactions of monocyanopyridines and sym. dicyanopyridines and the corresponding atom localization energies. The calculation of π-elec-tonic structure of these compounds was carried out by the Hueckel M.O. L.C.A.O. method.

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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: 3-Bromo-4-chloronitrobenzene( cas:16588-26-4 ) is researched.Product Details of 16588-26-4.van der Aar, Ellen M.; de Groot, Marcel J.; Bijloo, Greetje J.; van der Goot, Henk; Vermeulen, Nico P. E. published the article 《Structure-Activity Relationships for the Glutathione Conjugation of 2-Substituted 1-Chloro-4-nitrobenzenes by Rat Glutathione S-Transferase 4-4》 about this compound( cas:16588-26-4 ) in Chemical Research in Toxicology. Keywords: glutathione conjugation chloronitrobenzene transferase. Let’s learn more about this compound (cas:16588-26-4).

In the present study structure-activity relationships (SAR’s) are described for the exptl. determined kinetic parameters (Km, kcat, and kcat/Km) of the GST 4-4-catalyzed reaction between GSH and 10 2-substituted 1-chloro-4-nitrobenzenes. Steric, lipophilic, and electronic parameters were correlated with the kinetic parameters. Moreover, charge distributions and several energy values were calculated for the substrates and the corresponding Meisenheimer intermediates with MeS- as a model nucleophile for the thiolate anion of GSH and used in the regression analyses. The correlations obtained were compared with the corresponding SAR’s for the base-catalyzed GSH conjugation reaction at pH 9.2. A high correlation coefficient was found between the kinetic parameter ks for the base-catalyzed reaction and the Hammett substituent constant (σp). Much lower correlation coefficients were obtained with kcat and σp and with kcat/Km and σp. Moreover, the reaction constant ρ was significantly higher for the base-catalyzed than for the enzyme-catalyzed reaction. Also, high correlations were found between the kinetic parameters and the charges on the p-nitro substituent in the substrates. When ks was plotted against these charges, a linear relation was found in which the slope was larger than the slope of a corresponding plot with kcat/Km. The Hammett σp can be divided into an inductive (F) and a resonance (R) component. With multiple regression between the kinetic parameters and F and R, higher correlation coefficients were obtained than with σp alone. The observations suggest that the transition states for the base-catalyzed and the GST 4-4-catalyzed GSH conjugation reaction are different. Moreover, single classical physicochem. and computer-calculated mol. parameters and combinations of them can be an alternative approach for examining SAR’s for spontaneous and GST-catalyzed GSH conjugation reactions.

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Application of 16588-26-4. 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 Synthesis and study of trichinellocidal activity of some bromine and chlorine derivatives of 8-quinolyloxysalicylanilides. Author is Trusov, S. N.; Sevbo, D. P.; Veretennikova, N. L.; Mikhailitsyn, F. S..

Some title derivatives were synthesized and tested for trichinellocidal activity. N-[3-bromophenyl-4-(5-chloroquinolinoxy)]-3,5-dibromosalicylamide exhibited trichinellocidal activity (in mice infected with decapsulated Trichinella spiralis) that was close to that of mebendazole.

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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 Photochemistry of dicyanopyridines, published in 1995-09-13, which mentions a compound: 1195-58-0, mainly applied to photochem dicyanopyridine UV laser flash photolysis, Recommanded Product: Pyridine-3,5-dicarbonitrile.

The photochem. of a variety of dicyanopyridines (2,3-, 2,4-, 2,5-, 2,6-, 3,4- and 3,5-dicyanopyridine) in solution at room temperature was investigated. Pulsed UV (308 nm) laser irradiation in deoxygenated acetonitrile yields the triplet state with lifetimes between 4 and 10 μs and absorption bands in the 400 and 320 nm regions. In the presence of added HCl an air-insensitive transient (τ≈10-12 μs, λmax≈360-380 nm) was observed, suggesting the formation of a protonated excited state. Irradiation in the presence of amines resulted in the production of the pyridyl radical anion (τ≈40-80 μs, air sensitive, λmax≈360-380 nm) formed by electron transfer from the amine to the pyridine triplet excited state. Stern-Volmer anal. gave electron transfer rate constants in the range (1-8)×10-8 M-1s-1. In methanol solvent, irradiation yielded an air-insensitive transient assigned as the neutral pyridyl radical (τ≈30-200 μs, λmax≈370-385 nm). The formation of these transients is discussed in the context of previous photochem. ESR and product studies.

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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 Spectroscopic, structural and DFT studies of luminescent Pt(II) and Ag(I) complexes with an asymmetric 2,2′-bipyridine chelating ligand, the main research direction is carbomethoxybipyridine preparation platinum silver complexation; crystal mol structure methylcarbomethoxybipyridine platinum silver complex; DFT luminescent platinum silver methylcarbomethoxybipyridine asym bipyridine chelating ligand.Electric Literature of C8H12Cl2Pt.

A new unsym. substituted 2,2′-bipyridine ligand, 5-methyl-5′-carbomethoxy-2,2′-bipyridine (L) was isolated from the dry distillation of the copper(II) complex, mono-aqua-bis(trans-5-methyl-pyridine-2-carboxylato-N,O)copper(II). The ligand was fully characterized. The spectroscopic and single-crystal x-ray diffraction (SCXRD) studies of the coordination compounds of the ligand with platinum(II) and silver(I); cis-Pt(L)Cl2 (1) and [Ag(L)2]PF6 (2), resp. are reported. In 1, the Pt center coordinates to tertiary N atoms of the ligand and two chloride ions to form a neutral square-planar coordination sphere, while in 2, the Ag(I) center is coordinated by two ligands through N atoms to generate a cationic flattened tetrahedron geometry in which two mean planes intersect each other at 50.93°. The pyridine rings are nearly coplanar as revealed by the torsion angle of N2-C7-C6-N1 1.32(5)°. In both complexes, L acts as a chelating ligand through pyridyl N atoms. In 1, the mol. units are stacked in a head-to-tail fashion with a Pt···Pt separation of 3.5 Å. Supramol. self-assembly of the mol. units by extensive intermol. contacts through C-H···Cl and C-H···O between the adjacent units results in an infinite two-dimensional flattened-out herringbone structure in the crystalline state. In 2, the mol. units are interconnected with each other by C-H···O contacts between the adjacent units running parallel to each other. Both complexes are fluorescent in solution and have emission maxima in the UV-Vis regions, which is a very important property for optoelectronic applications. DFT (d. functional theory) and TD-DFT (time-dependent-DFT) calculations were performed at B3LYP/6-311+G(d,p)/LANL2DZ level to explore structural, electronic, and spectroscopic properties to compare with the exptl. results. The MOs were carried out with DFT at the same level.

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HPLC of Formula: 7661-33-8. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Lactams. VIII. Conformation of N-aryl lactams. Author is Manhas, Maghar S.; Jeng, Stella J.; Bose, Ajay K..

N-Aryl β-lactams were characterized by strong uv maximum at about 250 mμ. Some N-aryl γ-lactams also show similar absorption maximum but heavily substituted γ-lactams or N-phenyl δ-lactam display only low absorption in this region. A study of uv and N.M.R. spectra indicates that in N-aryl β-lactams, the heterocyclic ring and the three valences of N are planar and the N-aryl ring lies in the plane of the β-lactam. This planarity as well as the strong uv absorption are the result of an extended conjugation between the aryl ring and the amide function. Ortho substitution on the aryl ring causes a slight departure from this planarity and reduces the intensity of the uv absorption. In case of N-aryl γ-lactams, ortho substitution on the aryl ring causes enough departure from planarity to eliminate altogether the absorption maximum near 250 mμ. 22 references.

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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, Journal of Catalysis called Highly efficient hydrosilylation catalysts based on chloroplatinate “”ionic liquids””, Author is Jankowska-Wajda, Magdalena; Bartlewicz, Olga; Walczak, Anna; Stefankiewicz, Artur R.; Maciejewski, Hieronim, which mentions a compound: 12080-32-9, SMILESS is C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-], Molecular C8H12Cl2Pt, Application of 12080-32-9.

The reaction between ionic liquid [Cat]+Cl- (where Cat stands for 1-butyl-3-methylimidazolium, 1-butyl-2,3-dimethylimidazolium or 1-butyl-4-methylpyridinium) and the metal precursor ([PtCl2(cod)], PtCl4, K2[PtCl4] or K2[PtCl6]) yielded two groups of derivatives: [Cat]+[PtCl4]- and [Cat]+[PtCl6]-, which formally are counted among halometallate ionic liquids, however, due to their high m.ps. they should be classified into anionic platinum complexes rather than into ionic liquids All the derivatives were isolated and characterized spectroscopically (NMR, ESI-MS) and crystallog. structures were determined for three derivatives: ([BMPy]2[PtCl4], [BMIM]2[PtCl6] and [BMMIM]2[PtCl6]). Moreover, their m.ps. were measured and thermal stability was assessed. The above derivatives were employed as catalysts for hydrosilylation of olefins with diverse properties. All the studied catalysts showed high activity and their insolubility in the reaction medium made easy their isolation and multiple use in subsequent catalytic runs. The most effective catalysts did not lose their activity even after ten runs, thereby they make a very good alternative to commonly used homogeneous catalysts. Their simple synthesis and stability make them interesting both for economic and ecol. reasons.

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