Month: April 2022

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 C,C coordination mode in comparison with C,P coordination mode in six and seven pallada- and platinacycle complexes of phosphorous ylide; synthesis, X-ray and theoretical studies, the main research direction is coordination mode six seven palladacycle platinacycle complex phosphorus ylide; crystal structure mol optimized palladacycle platinacycle phosphorus ylide; six seven membered palladacycle platinacycle phosphorus ylide preparation energy.Synthetic Route of C8H12Cl2Pt.

New sym. [p-CN-C6H4C(O)CH2PPh2(CH2)2PPh2CH2C(O)C6H4-p-CN]Br2(1) and unsym. [PPh2(CH2)2PPh2CH2C(O)C6H4-p-CN]Br (2) phosphonium salts were prepared by reacting Bis(diphenylphosphino)ethane (dppe) with p-CN-C6H4C(O)CH2Br in acetone, in 1:2 and 1:1 ratios, resp. Treatment of these salts with an appropriate alkali led to sym. p-CN-C6H4C(O)C(H)PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN (3) and unsym. PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN (4) ylides. The reaction of 3 and 4 with [MCl2(cod)] (M = Pd or Pt; cod = 1,5-cyclooctadiene) in 1:1 ratio, using dichloromethane as a solvent, led to mononuclear seven membered metallocyclic ring complexes [MCl2(p-CN-C6H4C(O)C(H)PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN)] (M = Pd (5) and Pt (6), having C,C coordination mode) and mononuclear six membered ring complexes [MCl2(PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN)] (M = Pd (7) and Pt (8), having P,C coordination mode), resp. Characterization of the resulting compounds were performed by elemental anal., IR, 1H,13C and 31P NMR spectroscopic methods. As well, the unequivocal structure of compound 5 (seven membered pallada-cycle complex) was characterized crystallog. In the sym. complexes, with seven membered metallocyclic rings, the title ylide is coordinated to the metal through two ylidic carbon atoms. Using theor. methods, D.-function theory (DFT) calculations at the BP86/def2-SVP level of theory, the structures of the unsym. six membered pallada- and platinacyclic complexes were compared with the structures of the sym. seven membered pallada- and platinacyclic complexes. The strength and nature of donor-acceptor bonds between the phosphorus ylide (Y ligand) and MCl2 fragments in the [YMCl2] M = Pd, Pt, Y = p-CN-C6H4C(O)C(H)PPh2(CH2)2PPh2C(H)C(O)C6H4-p-CN,PPh2(CH2)nPPh2C(H)C(O)C6H4-p-CN, n = 1-2, were carried out by Natural bond orbital anal. (NBO) and energy-decomposition anal. (EDA) as well as their natural orbitals for chem. valence (NOCV) variations.

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Related Products of 1195-58-0. 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: Pyridine-3,5-dicarbonitrile, is researched, Molecular C7H3N3, CAS is 1195-58-0, about Optimizing Open Iron Sites in Metal-Organic Frameworks for Ethane Oxidation: A First-Principles Study. Author is Liao, Peilin; Getman, Rachel B.; Snurr, Randall Q..

Activation of the C-H bonds in ethane to form ethanol is a highly desirable, yet challenging, reaction. Metal-organic frameworks (MOFs) with open Fe sites are promising candidates for catalyzing this reaction. One advantage of MOFs is their modular construction from inorganic nodes and organic linkers, allowing for flexible design and detailed control of properties. In this work, we studied a series of single-metal atom Fe model systems with ligands that are commonly used as MOF linkers and tried to understand how one can design an optimal Fe catalyst. We found linear relationships between the binding enthalpy of oxygen to the Fe sites and common descriptors for catalytic reactions, such as the Fe 3d energy levels in different reaction intermediates. We further analyzed the three highest-barrier steps in the ethane oxidation cycle (including desorption of the product) with the Fe 3d energy levels. Volcano relationships are revealed with peaks toward higher Fe 3d energy and stronger electron-donating group functionalization of linkers. Furthermore, we found that the Fe 3d energy levels pos. correlate with the electron-donating strength of functional groups on the linkers. Finally, we validated our hypotheses on larger models of MOF-74 iron sites. Compared with MOF-74, functionalizing the MOF-74 linkers with NH2 groups lowers the enthalpic barrier for the most endothermic step in the reaction cycle. Our findings provide insight for catalyst optimization and point out directions for future exptl. efforts.

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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.Belova, N. A.; Suvorov, B. V.; Kagarlitskii, A. D. researched the compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0 ).Formula: C7H3N3.They published the article 《Oxidative ammonolysis of 3,5-lutidine on vanadium oxide contacts modified by additives of tin and titanium oxides》 about this compound( cas:1195-58-0 ) in Izvestiya Akademii Nauk Kazakhskoi SSR, Seriya Khimicheskaya. Keywords: lutidine ammoxidation metal oxide; vanadium oxide ammoxidation lutidine; tin oxide ammoxidation lutidine; titanium oxide ammoxidation lutidine. We’ll tell you more about this compound (cas:1195-58-0).

Ammoxidation of 3,5-lutidine on the title catalysts at 340-420° gave 5-methylnicotinonitrile (I) and 3,5-pyridinedicarbonitrile (II) in yields as high as 85 and 65%, resp. At the lower temperatures and contact times, II was formed sequentially via I, but under the more drastic conditions II could also be formed directly from 3,5-lutidine.

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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: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ) is researched.Name: Dichloro(1,5-cyclooctadiene)platinum(II).Liu, Sumeng; Zhang, Zhejun; Abelson, John R.; Girolami, Gregory S. published the article 《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》 about this compound( cas:12080-32-9 ) in Organometallics. Keywords: platinum alkenyl compound deuterated preparation decomposition elimination kinetics. Let’s learn more about this compound (cas:12080-32-9).

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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Quality Control of Dichloro(1,5-cyclooctadiene)platinum(II). 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: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Supramolecular polymerization of Pt(II) complex with terpyridine-based ligand possessing alanine moiety in nonpolar solvent. Author is Park, Jaehyeon; Hwang, Minkyeong; Ok, Mirae; Li, Chenxing; Choi, Heekyoung; Seo, Moo Lyong; Jung, Jong Hwa.

The authors report on the supramol. polymerization of Pt(II) complex with terpyridine-based ligand (1) possessing alanine moiety in nonpolar solvents, such as methylcyclohexane, n-hexane, chloroform, and dichloromethane. The supramol. polymer 1-Pt exhibited a strong orange emission as low as micromole concentration, which originated from the MLCT of 1-Pt in J-aggregation. The lifetime of supramol. polymer 1-Pt was 0.5-2.1μs in nonpolar solvents. The supramol. polymer 1-Pt showed a typical fiber structure using SEM observation. Besides, the supramol. polymer 1-Pt was generated by a cooperative pathway involving a nucleation-elongation mechanism.

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Category: alcohols-buliding-blocks. 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 Late-stage oxidative C(sp3)-H methylation. Author is Feng, Kaibo; Quevedo, Raundi E.; Kohrt, Jeffrey T.; Oderinde, Martins S.; Reilly, Usa; White, M. Christina.

Frequently referred to as the ‘magic Me effect’, the installation of Me groups-especially adjacent (α) to heteroatoms-has been shown to dramatically increase the potency of biol. active mols.1-3. However, existing methylation methods show limited scope and have not been demonstrated in complex settings1. Here, we report a regioselective and chemoselective oxidative C(sp3)-H methylation method that is compatible with late-stage functionalization of drug scaffolds and natural products. This combines a highly site-selective and chemoselective C-H hydroxylation with a mild, functional-group-tolerant methylation. Using a small-mol. manganese catalyst, Mn(CF3PDP), at low loading (at a substrate/catalyst ratio of 200) affords targeted C-H hydroxylation on heterocyclic cores, while preserving electron-neutral and electron-rich aryls. Fluorine- or Lewis-acid-assisted formation of reactive iminium or oxonium intermediates enables the use of a mildly nucleophilic organoaluminum methylating reagent that preserves other electrophilic functionalities on the substrate. We show this late-stage C(sp3)-H methylation on 41 substrates housing 16 different medicinally important cores that include electron-rich aryls, heterocycles, carbonyls and amines. Eighteen pharmacol. relevant mols. with competing sites, including drugs (for example, tedizolid) and natural products, are methylated site-selectively at the most electron rich, least sterically hindered position. We demonstrate the syntheses of two magic Me substrates, an inverse agonist for the nuclear receptor RORc and an antagonist of the sphingosine-1-phosphate receptor-1, via late-stage methylation from the drug or its advanced precursor. We also show a remote methylation of the B-ring carbocycle of an abiraterone analog. The ability to methylate such complex mols. at late stages will reduce synthetic effort and thereby expedite broader exploration of the magic Me effect in pursuit of new small-mol. therapeutics and chem. probes.

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Application of 12080-32-9. 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 Stereochemical Effects on Platinum Acetylide Two-Photon Chromophores.

Cis-Pt(II) acetylide complexes containing 2-photon-absorbing chromophores were synthesized and characterized to explore the effects of stereochem. on the nonlinear absorption properties. The mols. feature 4-(phenylethynyl)phenylethynylene (PE2), diphenylaminofluorene (DPAF), and benzothiazolylfluorene (BTF) ligands. The photophys. properties were studied under 1- and 2-photon conditions and compared to the known trans analogs via UV-visible absorption, luminescence, femtosecond and nanosecond transient absorption (TA), nanosecond z-scan, and femtosecond 2-photon absorption (2PA). The bent cis complexes exhibit blue shifts in the absorption, emission, femtosecond, and nanosecond TA spectra along with lower molar absorptivities and lower phosphorescence yields relative to the trans complexes suggesting less efficient Pt-induced spin-orbit coupling and intersystem crossing in the cis configuration. The cis chromophores are noncentrosym. and therefore show dipolar behavior with a pronounced 2PA in the 0-0 transition of the S0 → S1 band, while the trans complexes show quadrupolar behavior with a forbidden 0-0 transition. In the S0 → Sn region, both cis and trans complexes show intense 2-photon-absorption bands (up to 3700 GM by the peak cross section for cis-BTF) which contain a significant contribution from the excited state absorption (S1 → Sn). All 6 complexes exhibit comparable nonlinear absorption response with a significant contribution from triplet-triplet absorption that slightly favors trans complexes but is more strongly dependent upon the structure of the π-conjugated chromophore. Crystallog. data are given.

Compound(12080-32-9)Application of 12080-32-9 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(Dichloro(1,5-cyclooctadiene)platinum(II)), if you are interested, you can check out my other related articles.

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HPLC of Formula: 7661-33-8. 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: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about New synthesis of N-aryl- and N-alkylpyrrolidones, and some of their properties.

N-Aryl pyrrolidinones (I) [R = 2,3-Me2C6H3, 2-ClC6H4, 4-ClC6H4, 3,4-Cl2C6H3, 4-BrC6H4, and 2,4-(MeO)BrC6H3] were prepared with 85-98% yield by heating equimolar amounts of γ-butyrolactone (II) and hydrochlorides of primary aromatic amines at 60-210° for 4-20 hr. The reaction of II with hydrochlorides of aliphatic amines proceeds with difficulty and the yield of the corresponding N-alkyl pyrrolidinones is 20-33%. All the pyrrolidinones are active fungicides.

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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 the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) called Reduction of 3,5-disubstituted pyridines to dihydropyridines, Author is Booker, Evans; Eisner, Ulli, which mentions a compound: 1195-58-0, SMILESS is N#CC1=CC(C#N)=CN=C1, Molecular C7H3N3, Recommanded Product: Pyridine-3,5-dicarbonitrile.

The pyridines (I, R = Me, Et) underwent reduction with NaBH4 to give mixtures of the corresponding 1,4- II and 1,2-dihydropyridines III, resp. The compositions of the isomer mixtures produced in various solvents were determined Reduction of I by NaBH3CN and by B2H6 gave II and III (R = Me, Et), resp.

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Computed Properties of C8H12Cl2Pt. 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: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Multifunctional Pt(II)-Based Metallo-Supramolecular Polymer with Carboxylic Acid Groups: Electrochemical, Mechanochemical, Humidity, and pH Response. Author is Chakraborty, Chanchal; Rana, Utpal; Moriyama, Satoshi; Higuchi, Masayoshi.

We report multifunctional Pt(II)-based metallo-supramol. polymer with carboxylic acid groups (polyPtC). The polymer showed multi-stimuli-responsive emission to electrochem. redox, mech. force, humidity, and pH. It also exhibited humidity-responsive ionic conductivity Furthermore, it displayed electrofluorochromism. The emission switching between the two transition states (3MLCT/3LLCT and 3MMLCT) was based on the reversible changes of the interchain Pt-Pt interaction in polyPtC, which was caused by the secondary interaction or the crystalline-amorphous transition. The ionic conductivity of polyPtC was responsible for the humidity and the real-time humidity sensor with the polymer film was demonstrated on interdigitated Pt-electrodes. A solid-state electrochromic device with the polymer film was successfully fabricated to show reversible yellow-to-black electrochromism. In addition, it was revealed by the electrofluorochromic study that the pristine 3MLCT/3LLCT emission was quenched in the electrochem. reduced state (the black state), because the radical anion species of the ligand (tpy·-) generated at the neg. potential caused the repulsion among the polymer chains, expanded the Pt-Pt distance, and prevented the emission.

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