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Synthetic Route of C8H12Cl2Pt. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors. Mechanistic Studies of the Thermolysis of Pt[CH2CMe2CH2CH=CH2]2 in Solution and the Origin of Rapid Nucleation. Author is Liu, Sumeng; Zhang, Zhejun; Abelson, John R.; Girolami, Gregory S..

Cis-bis(η1,η2-2,2-dimethylpent-4-en-1-yl)platinum, Pt[CH2CMe2CH2CH=CH2]2 (3), is a recently discovered CVD precursor for the deposition of highly smooth Pt thin films without nucleation delays on a variety of substrates. This paper describes detailed mechanistic studies of the pathway by which 3 reacts upon being heated in solution In various solvents between 90 and 130°, 3 decomposes to generate ~1 equiv of 4,4-dimethylpentenes by addition of a H atom to the pentenyl ligands in 3. The extra H atoms arise by dehydrogenation of other pentenyl ligands; some of these dehydrogenated ligands are released as Me-substituted methylenecyclobutanes and cyclobutenes. A combination of isotope labeling and kinetic studies suggests that 3 decomposes by C-H activation of both allylic and olefinic C-H bonds to give transient Pt hydride intermediates, followed by reductive elimination steps to form the pentene products, but that the exact mechanism is solvent-dependent. In C6F6, solvent association occurs before C-H bond activation, and the rate-determining step for thermolysis is most likely the formation of a Pt σ complex. In hydrocarbon solvents, the solvent is little involved before C-H bond activation, and the rate-determining step is most likely the formation of a Pt σ complex only for γ-C-H and ε-C-H bond activation, but cleavage or formation of a C-H bond for δ-C-H bond activation. A comparison of the thermolysis reactions under CVD conditions and in solution suggests that the high smoothness of the CVD-grown films is due in part to rapid nucleation (which is a consequence of the availability of low-barrier C=C bond dissociation pathways) and in part to the formation of C-containing species that passivate the Pt surface.

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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, Inorganic Chemistry called Luminescent Platinum(II) Complexes of N^N-^N Amido Ligands with Benzannulated N-Heterocyclic Donor Arms: Quinolines Offer Unexpectedly Deeper Red Phosphorescence than Phenanthridines, Author is Mandapati, Pavan; Braun, Jason D.; Killeen, Charles; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E., 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.

A platform for investigating the impact of π-extension in benzannulated, anionic pincer-type N^N-^N-coordinating amido ligands and their Pt(II) complexes is presented. Based on bis(8-quinolinyl)amine, sym. and asym. proligands bearing quinoline or π-extended phenanthridine (3,4-benzoquinoline) units are reported, along with their red-emitting, phosphorescent Pt(II) complexes of the form (N^N-^N)PtCl. Comparing the photophys. properties of complexes of (quinolinyl)amido ligands with those of π-extended (phenanthridinyl)amido analogs revealed a counterintuitive impact of site-selective benzannulation. Contrary to conventional assumptions regarding π-extension, and in contrast to isoenergetic lowest energy absorption bands and a red shift in fluorescence from the organic proligands, a blue shift of nearly 40 nm in the emission wavelength is observed for Pt(II) complexes with more extended bis(phenanthridinyl) ligand π-systems. Comparing the ground state and triplet excited state structures optimized from d. functional theory (DFT) and time-dependent-DFT calculations, we trace this effect to a greater rigidity of the benzannulated complexes, resulting in a higher energy emissive triplet state, rather than to a significant perturbation of orbital energies caused by π-extension. A counterintuitive impact of π-extension on luminescence from deep red emitting Pt(II) complexes of benzannulated, anionic pincer-type N^N-^N-coordinating amido ligands is reported. Contrary to conventional assumptions, isoenergetic lowest energy absorption bands and a red shift in fluorescence from the organic proligands, a blue shift in the emission wavelength is observed for Pt(II) complexes with more extended bis(phenanthridinyl) π-systems, traced to a greater rigidity of the benzannulated complexes and a higher energy triplet state.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Condensation of aniline, o-phenylenediamine, and their derivatives with lactones, the main research direction is aniline butyrolactone pyrrolidinone; benzimidazolepropanol phenylenediamine lactone.Product Details of 7661-33-8.

Heating equimol. amounts of RNH2 and γ-butyrolactone at 130-305° gave 2-pyrrolidinones (I) (R and % yield given): Ph, 80; m-MeC6H4, 75; p-MeC6H4, 78; m-BrC6H4, 60; α-naphthyl, 14; m-CF3C6H4, 19; p-ClC6H4, 77; β-naphthyl, 62. Boiling a mixture of equimol. amounts of substituted aromatic o-diamines and γ- or β-lactones in xylene gave the following 3-(2-benzimidazolyl)-1-alkanoles (II) (R1, R2, X, and % yield given): H, CCl3, CH2, 61; Cl, CCl3, CH2, 85; Me, CCl3, CH2, 87; H, H, (CH2)2, 80; Cl, H, (CH2)2, 24; Me, H, (CH2)2, 31; H, Me, (CH2)2, 78; H, Pr, (CH2)2, 78; Cl, Pr, (CH2)2, 7; Me, Pr, (CH2)2, 13; H, Bu, (CH2)2, 75; Cl, Bu, (CH2)2, 17; H, C7H15, (CH2)2, 66; H, H, CHOHCMe2, 50; H, H, CHAcCH2, 40; Cl, H, CHAcCH2, 16. Uv data for II are given.

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Synthetic Route of C7H3N3. 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: Pyridine-3,5-dicarbonitrile, is researched, Molecular C7H3N3, CAS is 1195-58-0, about Correlation of 2-, 3-, 4- and disubstituted pyridine gas-phase proton affinities with ab initio calculated energies at the STO-3G basis set level.

Total energies of 2-, 3-, 4- and disubstituted pyridines were calculated for the salt and the free base using ab initio MO calculations at the STO-3G basis set level. In each set, the difference in energy, ΔEH, between the salt and the free base was calculated and plotted against exptl. derived gas-phase proton affinities. The correlation was very good for each of the substituent categories listed. All of the energies and proton affinities were then plotted together on the same graph. The result was an excellent correlation with r = 0.97. The linear equation for gas phase proton affinity, PAB = 28.51 + 435.45ΔEH kcal/mol, was derived from this plot and was used to calculate proton affinities for all 31 compounds used in this study as well as for a series of dicyanopyridines for which values of proton affinity are not available at this time.

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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 7661-33-8, is researched, SMILESS is O=C1N(C2=CC=C(Cl)C=C2)CCC1, Molecular C10H10ClNOJournal, European Journal of Organic Chemistry called Synthetic Exploration of α-Diazo γ-Butyrolactams, Author is Zhukovsky, Daniil; Dar’in, Dmitry; Kantin, Grigory; Krasavin, Mikhail, the main research direction is diazobutyrolactam pyrrolinone preparation; alc oxalylation hydride shift dimerization oxygen hydrogen insertion.Recommanded Product: 1-(4-Chlorophenyl)pyrrolidin-2-one.

Diazo transfer reaction onto γ-butyrolactams (activated by α-ethyloxalylation) gave rare α-diazo-γ-butyrolactams. Decomposition of the latter by Rh2(OAc)4 in the presence of alcs. and water gave products of O-H insertion of the resp. metal-cabene species. Silver triflate (1 mol%) was found to convert the investigated γ-butyrolactams into 1,5-dihydro-2H-pyrrol-2-ones which represent versatile building blocks. Particular instability was noted for α-diazo γ-butyrolactams bearing alkyl or o-substituted aryl substituents on the nitrogen atom. These were found to dimerize in solution or upon storage at room temperature to give fully conjugated bis-hydrazones along with the loss of a nitrogen mol.

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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, E. M.; Buikema, D.; Commandeur, J. N. M.; te Koppele, J. M.; van Ommen, B.; van Bladeren, P. J.; Vermeulen, N. P. E. researched the compound: 3-Bromo-4-chloronitrobenzene( cas:16588-26-4 ).Electric Literature of C6H3BrClNO2.They published the article 《Enzyme kinetics and substrate selectivities of rat glutathione S-transferase isoenzymes towards a series of new 2-substituted 1-chloro-4-nitrobenzenes》 about this compound( cas:16588-26-4 ) in Xenobiotica. Keywords: glutathione transferase substrate selectivity kinetics. We’ll tell you more about this compound (cas: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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Reference of 1-(4-Chlorophenyl)pyrrolidin-2-one. 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: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Synthetic Exploration of α-Diazo γ-Butyrolactams. Author is Zhukovsky, Daniil; Dar’in, Dmitry; Kantin, Grigory; Krasavin, Mikhail.

Diazo transfer reaction onto γ-butyrolactams (activated by α-ethyloxalylation) gave rare α-diazo-γ-butyrolactams. Decomposition of the latter by Rh2(OAc)4 in the presence of alcs. and water gave products of O-H insertion of the resp. metal-cabene species. Silver triflate (1 mol%) was found to convert the investigated γ-butyrolactams into 1,5-dihydro-2H-pyrrol-2-ones which represent versatile building blocks. Particular instability was noted for α-diazo γ-butyrolactams bearing alkyl or o-substituted aryl substituents on the nitrogen atom. These were found to dimerize in solution or upon storage at room temperature to give fully conjugated bis-hydrazones along with the loss of a nitrogen mol.

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Ilavsky, D.; Kuthan, J. published an article about the compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0,SMILESS:N#CC1=CC(C#N)=CN=C1 ).Application of 1195-58-0. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:1195-58-0) through the article.

Quantum-chem. interpretation is given for the UV spectra of mono-, di-, and trimethylated title compounds using the limited-configuration-interaction method on the bases of Hueckel MO and SCF wave functions. Results of both procedures agree well with exptl. The modifications agree also in qualities of individual transitions and weights of configurations. The influence of Me-group on 3,5-dicyanopyridine skeleton was followed by the electron d. change.

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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, Research Support, U.S. Gov’t, P.H.S., Journal of Medicinal Chemistry called Design and Synthesis of Potent Nonpeptidic Farnesyltransferase Inhibitors Based on a Terphenyl Scaffold, Author is Ohkanda, Junko; Lockman, Jeffrey W.; Kothare, Mohit A.; Qian, Yimin; Blaskovich, Michelle A.; Sebti, Said M.; Hamilton, Andrew D., which mentions a compound: 16588-26-4, SMILESS is BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl, Molecular C6H3BrClNO2, Application of 16588-26-4.

By modification of key carboxylate, hydrophobic, and zinc-binding groups projected from a sterically restricted terphenyl scaffold, a series of simple and nonpeptide mimetics of the Cys-Val-Ile-Met tetrapeptide substrate of protein farnesyltransferase (FTase) have been designed and synthesized. A crystal structure of 4-nitro-2-phenyl-3′-methoxycarbonylbiphenyl shows that the terphenyl fragment provides a large hydrophobic surface that potentially mimics the hydrophobic side chains of the three terminal residues in the tetrapeptide. 2-Phenyl-3-{N-[1-(4-cyanobenzyl)-1H-imidazol-5-yl]methyl}amino-3′-carboxylbiphenyl, in which the free thiol group was replaced with a 1-(4-cyanobenzyl)imidazole group, shows submicromolar inhibition activity against FTase in vitro and inhibits H-Ras processing in whole cells.

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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 Confined Spaces in [n]Cyclo-2,7-pyrenylenes, the main research direction is cyclo pyrenylene inclusion reaction crystal mol structure; cycloparaphenylenes; host-guest systems; macrocycles; molecular recognition; supramolecular chemistry.Computed Properties of C8H12Cl2Pt.

A set of strained aromatic macrocycles based on [n]cyclo-2,7-(4,5,9,10-tetrahydro)pyrenylenes is presented with size-dependent photophys. properties. The K-region of pyrene was functionalized with ethylene glycol groups to decorate the outer rim and thereby confine the space inside the macrocycle. This confined space is especially pronounced for n=5, which leads to an internal binding of up to 8.0×104 M-1 between the ether-decorated [5]cyclo-2,7-pyrenylene and shape-complementary crown ether-cation complexes. Both the ether-decorated [n]cyclo-pyrenylenes as well as one of their host-guest complexes have been structurally characterized by single-crystal X-ray anal. In combination with computational methods the structural and thermodn. reasons for the exceptionally strong binding have been elucidated. The presented rim confinement strategy makes cycloparaphenylenes an attractive supramol. host family with a favorable, size-independent read-out signature and binding capabilities extending beyond fullerene guests.

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