Month: April 2022

SDS of cas: 1195-58-0. 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: Pyridine-3,5-dicarbonitrile, is researched, Molecular C7H3N3, CAS is 1195-58-0, about Electron-Deficient Heteroarenium Salts: An Organocatalytic Tool for Activation of Hydrogen Peroxide in Oxidations. Author is Sturala, Jiri; Bohacova, Sona; Chudoba, Josef; Metelkova, Radka; Cibulka, Radek.

A series of monosubstituted pyrimidinium and pyrazinium triflates and 3,5-disubstituted pyridinium triflates were prepared and tested as simple catalysts of oxidations with hydrogen peroxide, using sulfoxidation as a model reaction. Their catalytic efficiency strongly depends on the type of substituent and is remarkable for derivatives with an electron-withdrawing group, showing reactivity comparable to that of flavinium salts which are the prominent organocatalysts for oxygenations. Because of their high stability and good accessibility, 4-(trifluoromethyl)pyrimidinium and 3,5-dinitropyridinium triflates are the catalysts of choice and were shown to catalyze oxidation of aliphatic and aromatic sulfides to sulfoxides, giving quant. conversions, high preparative yields and excellent chemoselectivity. The high efficiency of electron-poor heteroarenium salts is rationalized by their ability to readily form adducts with nucleophiles, as documented by low pKR+ values (pKR+ < 5) and less neg. reduction potentials (Ered > -0.5 V). Hydrogen peroxide adducts formed in situ during catalytic oxidation act as substrate oxidizing agents. The Gibbs free energies of oxygen transfer from these heterocyclic hydroperoxides to thioanisole, obtained by calculations at the B3LYP/6-311++g(d,p) level, showed that they are much stronger oxidizing agents than alkyl hydroperoxides and in some cases are almost comparable to derivatives of flavin hydroperoxide acting as oxidizing agents in monooxygenases.

There is still a lot of research devoted to this compound(SMILES：N#CC1=CC(C#N)=CN=C1)SDS of cas: 1195-58-0, and with the development of science, more effects of this compound(1195-58-0) can be discovered.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Electric Literature of C7H3N3. 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 HMO [Hueckel molecular orbital] calculation and the reactivity of quinolinecarbonitriles and isoquinolinecarbonitriles with nucleophilic reagents. Author is Ide, Akio; Matsumori, Kunihiko; Ishizu, Kazuhiko; Watanabe, Hiroyasu.

Simple Hueckel MO calculations were carried out to explain the fact that the Grignard reagents attack the CN group of 2- and 4-quinolinecarbonitriles and 1- and 3-isoquinolinecarbonitriles, whereas the ring is attacked in the case of 3-quinolinecarbonitrile and 4-isoquinolinecarbonitrile. These facts could be explained by the reactivity indexes obtained with the following parameters: α + 0.5β for the Coulomg integral of N in the ring, α + 1.1β for the Coulomb integral of N of the cyano group, and 1.4β for resonance integral of the cyano group. The νCN absorption could be correlated with the π-bond order of the cyano group and the chem. shifts of H with the π-electron density (qr) by the equation: δ = 19.64 – 12.20qr. 1-Propionylisoquinoline, b5 125°, was prepared

There is still a lot of research devoted to this compound(SMILES：N#CC1=CC(C#N)=CN=C1)Electric Literature of C7H3N3, and with the development of science, more effects of this compound(1195-58-0) can be discovered.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Oxidation of organic compounds. XCIV. Synthesis of 3,5-dicyanopyridine by the oxidative ammonolysis of 3,5-butidine》. Authors are Suvorov, B. V.; Kagarlitskii, A. D.; Belova, N. A.; Kutzhanov, R. T..The article about the compound:Pyridine-3,5-dicarbonitrilecas:1195-58-0,SMILESS:N#CC1=CC(C#N)=CN=C1).Safety of Pyridine-3,5-dicarbonitrile. Through the article, more information about this compound (cas:1195-58-0) is conveyed.

Ammoxidation of 3,5-lutidine (I) using 1:9:17 I-O-NH3 at 350° in the presence of fused vanadium oxide-titanium oxide with a 0.5 sec contact time gave 40% 3,5-pyridinedicarbonitrile (II) and 5-methyl-3-pyridinecarbonitrile. Hydrolysis of II in aqueous NaOH gave 3,5-pyridinedicarboxylic acid.

There is still a lot of research devoted to this compound(SMILES：N#CC1=CC(C#N)=CN=C1)Safety of Pyridine-3,5-dicarbonitrile, and with the development of science, more effects of this compound(1195-58-0) can be discovered.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

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.Park, Jaehyeon; Hwang, Minkyeong; Ok, Mirae; Li, Chenxing; Choi, Heekyoung; Seo, Moo Lyong; Jung, Jong Hwa researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Application In Synthesis of Dichloro(1,5-cyclooctadiene)platinum(II).They published the article 《Supramolecular polymerization of Pt(II) complex with terpyridine-based ligand possessing alanine moiety in nonpolar solvent》 about this compound( cas:12080-32-9 ) in Inorganic Chemistry Communications. Keywords: platinum chiral terpyridine based ligand complex preparation luminescence. We’ll tell you more about this compound (cas:12080-32-9).

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.

There is still a lot of research devoted to this compound(SMILES：C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-])Application In Synthesis of Dichloro(1,5-cyclooctadiene)platinum(II), and with the development of science, more effects of this compound(12080-32-9) can be discovered.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

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.Recommanded Product: 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine. 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》 in relation to this compound, is published in Organometallics. Let’s take a look at the latest research on 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.

There is still a lot of research devoted to this compound(SMILES：C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-])Reference of Dichloro(1,5-cyclooctadiene)platinum(II), and with the development of science, more effects of this compound(12080-32-9) can be discovered.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

SDS of cas: 1195-58-0. 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 Optimizing Open Iron Sites in Metal-Organic Frameworks for Ethane Oxidation: A First-Principles Study.

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.

There is still a lot of research devoted to this compound(SMILES：N#CC1=CC(C#N)=CN=C1)SDS of cas: 1195-58-0, and with the development of science, more effects of this compound(1195-58-0) can be discovered.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Safety of Pyridine-3,5-dicarbonitrile. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Pyridine-3,5-dicarbonitrile, is researched, Molecular C7H3N3, CAS is 1195-58-0, about Dihydropyridines. XVIII. Atom localization energies of monocyanopyridines and symmetrical dicyanopyridines. Author is Kuthan, Josef; Skala, Vratislav.

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.

There is still a lot of research devoted to this compound(SMILES：N#CC1=CC(C#N)=CN=C1)Safety of Pyridine-3,5-dicarbonitrile, and with the development of science, more effects of this compound(1195-58-0) can be discovered.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

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.COA of Formula: C8H12Cl2Pt.Stipurin, Sergej; Strassner, Thomas published the article 《Phosphorescent Cyclometalated Platinum(II) Imidazolinylidene Complexes》 about this compound( cas:12080-32-9 ) in European Journal of Inorganic Chemistry. Keywords: phosphorescent cyclometalated platinum imidazolinylidene diketonate complex DFT uv vis; crystal structure mol cyclometalated platinum imidazolinylidene diketonate complex optimized; cyclometalated platinum imidazolinylidene diketonate complex preparation electrochem thermal decomposition. Let’s learn more about this compound (cas:12080-32-9).

We present the synthesis and characterization of six novel bidentate C-C* cyclometalated platinum(II) complexes derived from saturated N-heterocyclic carbene precursors, namely 1-aryl-3-methyl-1H-4,5-dihydroimidazolium salts. The title compounds were then synthesized by a multi-step reaction, which includes an in situ generation of the silver carbene complex, followed by transmetalation to platinum and subsequent introduction of the β-diketonate ligand. Structural characterization by NMR experiments and solid-state structures prove the cyclometalation and the saturated backbone of the NHC motif. Photophys. and electrochem. properties of the platinum(II) complexes were examined and studied in detail by DFT calculations The title compounds are strongly emissive at room temperature in the sky-blue region of the visible spectrum and show quantum yields of up to 71% in a PMMA matrix.

There is still a lot of research devoted to this compound(SMILES：C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-])COA of Formula: C8H12Cl2Pt, and with the development of science, more effects of this compound(12080-32-9) can be discovered.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Application of 1195-58-0. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Pyridine-3,5-dicarbonitrile, is researched, Molecular C7H3N3, CAS is 1195-58-0, about Additivity of substituent effects on the proton affinity and gas-phase basicity of pyridines. Author is Ebrahimi, A.; Habibi-Khorasani, S. M.; Jahantab, M..

The change in the proton affinity (PA) and basicity (GB) of pyridine with substituents have been considered by quantum mech. methods at the B3LYP/6-311++G(d,p) level of theory. The PA and GB values increase by the electron-donating substituents and decrease by the electron-withdrawing substituents. The effects of substituents on the PA and GB are approx. additive. The deviations of changes that are predicted from the additivity of substituent effects are generally lower than 30% from the calculated changes. Linear relationships are observed between the calculated PA values of substituted pyridines and the topol. properties of electron d., the mol. electrostatic potentials (MEP), and the N-H bond lengths. In addition, well-defined relations are established between the calculated PA values and the Hammett constants, and the reaction constant (ρ) has been calculated for the protonation reaction. With some exceptions, the effect of substituents are also additive on the electron d. and its Laplacian calculated at N-H BCP, and the MEP values calculated around the N atom.

There is still a lot of research devoted to this compound(SMILES：N#CC1=CC(C#N)=CN=C1)Application of 1195-58-0, and with the development of science, more effects of this compound(1195-58-0) can be discovered.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

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: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Phosphorylation of 1,4:3,6-Dianhydro-D-sorbitol.Name: Dichloro(1,5-cyclooctadiene)platinum(II).

Regioselective mono- and diphosphorylation of 1,4:3,6-dianhydro-D-sorbitol containing two hydroxyl groups differing in steric availability has been studied. The nature of the amine acting as activator and acceptor of hydrogen chloride have had significant impact on the direction of phosphorylation and the structure of the resulting products.

There is still a lot of research devoted to this compound(SMILES：C1=CCC/C=CCC/1.[Pt+2].[Cl-].[Cl-])Name: Dichloro(1,5-cyclooctadiene)platinum(II), and with the development of science, more effects of this compound(12080-32-9) can be discovered.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts