Author: tianli

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 Dipole moments of substituted 1-phenyl-2-pyrrolidones, published in 1970, which mentions a compound: 7661-33-8, Name is 1-(4-Chlorophenyl)pyrrolidin-2-one, Molecular C10H10ClNO, Computed Properties of C10H10ClNO.

The dipole moments of 1-phenyl-2-pyrrolidone and its 2′-methyl, 3′-methyl, 4′-methyl, 2′-chloro, 3′-chloro, 4′-chloro, 2′-methoxy, 3′-methoxy, and 4′-methoxy derivatives were measured in dioxane at 30° and the dipole moments of the 1st 4 compounds also in cyclohexane at 30°. The dipole moments were larger in dioxane than in cyclohexane. The dipole moments of all the compounds except 1-(3-methoxyphenyl)-2-pyrrolidone and 1-(4-methoxyphenyl)-2-pyrrolidone agree with the values calculated by applying Eyring’s treatment and assuming free rotation of the pyrrolidonyl group about the bond joining it to the aromatic ring.

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Pickl, Thomas; Poethig, Alexander published the article 《Bimetallic Platinum Group Complexes of a Macrocyclic Pyrazolate/NHC Hybrid Ligand》. Keywords: macrocyclic calix imidazolylidenepyrazolate bimetallic platinum palladium NHC carbene preparation; pyrazolate macrocyclic NHC hybrid bimetallic platinum palladium preparation structure; crystal mol structure macrocyclic calix imidazolylidenepyrazolate carbene platinum palladium.They researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Application In Synthesis 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.

Authors present the synthesis, structural characterization, and photophys. properties of dinuclear PdII and PtII-NHC complexes Pd2L(PF6)2 and Pt2L(PF6)2 based on a macrocyclic calix[4]imidazolylidene[2]pyrazolate ligand obtained by in situ deprotonation of the tetraimidazolium salt H6L(PF6)4. The PtII congener was also prepared by transmetalation from previously published AgI pillarplex Ag8L2(PF6)4. NMR spectroscopy (1H, 13C, 195Pt) combined with SC-XRD studies elucidated the structure of the PdII and PtII complexes in the solid state and in solution The d8 metal ions of both congeners are coordinated in a slightly distorted square-planar arrangement. Similar to the previously reported NiII complex Ni2L(PF6)2, the heavier metal homologues adopt a bent, saddle-shaped structure. As observed for structurally similar PtII complexes in solution, bimetallic Pt2L(PF6)2 showed photoluminescence in the blue region. In the solid state, emission was observed at a similar energy with unusually short lifetimes compared to other monometallic PtII complexes. DFT and TDDFT studies shed light on the nature of the most bathochromic transitions, suggesting a significant pyrazolate- and NHC-centered π-π* character.

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Kuthan, Josef; Prochazkova, J. published the article 《Dihydropyridines. XVII. π-Electronic structure and reactivity of alkyl 3,5-dicyanopyridines》. Keywords: cyanopyridines structure reactivity; pyridines cyano structure reactivity.They researched the compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0 ).Formula: C7H3N3. 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.

The π-electronic structure of alkyl 3,5-dicyanopyridines was studied by the Hueckel M.O. L.C.A.O. method. The heteroatom model was used in the calculations The exptl. course of nucleophilic reactions was in agreement with the calculated superdelocalizabilities. Some of the exptl. excitation energies depended linearly on the calculated transition energies. Correlation was found between the values of proton shifts in the N.M.R. spectra of dicyanopyridines and the corresponding electron densities.

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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 Highly Active and Chemoselective Reduction of Halogenated Nitroarenes Catalyzed by Ordered Mesoporous Carbon Supported Platinum Nanoparticles, published in 2019-05-06, which mentions a compound: 16588-26-4, mainly applied to reduction halogenated nitroarene catalyzed carbon platinum nanoparticle, Application In Synthesis of 3-Bromo-4-chloronitrobenzene.

Highly dispersed Pt nanoparticles (∼2.2 nm) on ordered mesoporous carbon (Pt/CMK-3-HQ) were first prepared through a two-step impregnation route with aqueous solutions of 8-hydroxyquinoline (8-HQ) and H2PtCl6, resp. The Pt/CMK-3-HQ quant. converted various halogenated nitroarenes to the corresponding haloanilines using hydrazine hydrate with unprecedented activities (e.g., turnover frequency for o-chloronitrobenzene was 30.2 s-1) and exhibited high stability with 20 cycles without decrease in catalytic efficiency. The high activity and chemoselectivity of Pt/CMK-3-HQ were attributed to the cooperation effect between Pt and N species, promoting cleavage of hydrazine to generate more Pt-H- and N-H+ species for reduction of nitro groups and weakening the interaction between halogen groups and Pt atoms for activation of C-halogen bonds.

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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.Computed Properties of C38H34N2O4P2. The article 《Group 10 metal complexes with a tetradentate thiosemicarbazonate ligand: Synthesis, crystal structures and computational insights into the catalysis for C-C coupling via Mizoroki-Heck reaction》 in relation to this compound, is published in Journal of Molecular Structure. Let’s take a look at the latest research on this compound (cas:12080-32-9).

Mononuclear complexes were synthesized by reactions of Group 10 metal ions with bis(4-phenyl-3-thiosemicarbazone) (H2bPht), affording compounds [MII(bPht)] (M = Ni, Pd and Pt). Their characterization involved FTIR, UV-visible, 1H NMR, CV, DPV and elemental anal. Also, the crystal structures of all complexes were determined, showing that the thiosemicarbazonate ligand is coordinated as a tetradentate N,N,S,S-donor forming three five-membered chelate rings. The catalytic activity of [MII(bPht)] in Heck’s C-C coupling reaction using styrene and iodobenzene to obtain stilbenes was evaluated. It was verified that the NiII and PtII complexes present low catalytic activity, while the PdII complex showed a conversion of 99% within 24 h. Trans-stilbene was identified as the major product of the coupling reaction, up to 90%. DFT studies were also performed to better understand the catalytic behavior of these complexes giving support for a new route for Mizoroki-Heck reaction.

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Safety of Dichloro(1,5-cyclooctadiene)platinum(II). 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 A Germylene Supported by Two 2-Pyrrolylphosphane Groups as Precursor to PGeP Pincer Square-Planar Group 10 Metal(II) and T-Shaped Gold(I) Complexes. Author is Cabeza, Javier A.; Fernandez, Israel; Fernandez-Colinas, Jose M.; Garcia-Alvarez, Pablo; Laglera-Gandara, Carlos J..

An efficient synthesis of 2-di-tert-butylphosphinomethylpyrrole (HpyrmPtBu2), by treating 2-dimethylaminomethylpyrrole (HpyrmNMe2) with tBu2PH at 135° in the absence of any solvent, has allowed the preparation of the new PGeP germylene Ge(pyrmPtBu2)2 (1), by treating [GeCl2(dioxane)] with LipyrmPtBu2, in which the Ge atom is stabilized by intramol. interactions with one (solid state) or both (solution) of its phosphine groups. Reactions of germylene 1 with Group 10 metal dichlorido complexes containing easily displaceable ligands have led to [MCl{κ3P,Ge,P-GeCl(pyrmPtBu2)2}] [M = Ni (2), Pd (3), Pt (4)], which have an unflawed square-planar metal environment. Treatment of germylene 1 with [AuCl(tht)] (tht = tetrahydrothiophene) rendered [Au{κ3P,Ge,P-GeCl(pyrmPtBu2)2}] (5), which is a rare case of a T-shaped gold(I) complex. The hydrolysis of 5 gave the linear gold(I) derivative [Au(κP-HpyrmPtBu2)2]Cl (6). Complexes 2-5 contain a PGeP pincer chloridogermyl ligand that arises from the insertion of the Ge atom of germylene 1 into a M-Cl bond of the corresponding metal reagent. The bonding in these mols. has been studied by DFT/NBO/QTAIM calculations These results demonstrate that the great flexibility of germylene 1 makes it a better precursor to PGeP pincer complexes than the previously known germylenes of this type.

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Formula: C3H3ClN2O2S. 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: 1H-Pyrazole-4-sulfonyl chloride, is researched, Molecular C3H3ClN2O2S, CAS is 438630-64-9, about Identification of the Clinical Candidate (R)-(1-(4-Fluorophenyl)-6-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)(4-(trifluoromethyl)pyridin-2-yl)methanone (CORT125134): A Selective Glucocorticoid Receptor (GR) Antagonist. Author is Hunt, Hazel J.; Belanoff, Joseph K.; Walters, Iain; Gourdet, Benoit; Thomas, Jennifer; Barton, Naomi; Unitt, John; Phillips, Timothy; Swift, Denise; Eaton, Emily.

The nonselective glucocorticoid receptor (GR) antagonist mifepristone has been approved in the U.S. for the treatment of selected patients with Cushing’s syndrome. While this drug is highly effective, lack of selectivity for GR leads to unwanted side effects in some patients. Optimization of the previously described fused azadecalin series of selective GR antagonists led to the identification of CORT125134, which is currently being evaluated in a phase 2 clin. study in patients with Cushing’s syndrome.

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Electric Literature of C6H3BrClNO2. 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: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Formation and rearrangement of ipso intermediates in aromatic free-radical chlorination reactions. Author is Everly, Charles R.; Traynham, James G..

Photoinitiated chlorination of p-ClC6H4NO2 (I) in CCl4 at room temperature produces mainly p-Cl2C6H4 (II) and some Cl3C6H3 (III). Reaction of p-BrC6H4NO2 (IV) under the same conditions also produces II and III plus a small amount of 2,4-Br(O2N)C6H3Cl (V). The presence of rearrangement product V and the greater III/II ratio from IV than from I are strong evidence for the formation and rearrangement of an ipso intermediate in these aromatic free-radical chlorinations.

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Yilmaz, Ismail; Acar-Selcuki, Nursel; Coles, Simon J.; Pekdemir, Fatih; Sengul, Abdurrahman published the article 《Spectroscopic, structural and DFT studies of luminescent Pt(II) and Ag(I) complexes with an asymmetric 2,2′-bipyridine chelating ligand》. Keywords: carbomethoxybipyridine preparation platinum silver complexation; crystal mol structure methylcarbomethoxybipyridine platinum silver complex; DFT luminescent platinum silver methylcarbomethoxybipyridine asym bipyridine chelating ligand.They researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Computed Properties of C8H12Cl2Pt. 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.

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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Computed Properties of C6H3BrClNO2. 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: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Ligand-free Suzuki-Miyaura cross-coupling with low Pd content: rapid development by a fluorescence-based high-throughput screening method. Author is Lim, Taeho; Ryoo, Jeong Yup; Jang, Mingyeong; Han, Min Su.

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.

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