Category: 1195-58-0

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, Canadian Journal of Chemistry called Photochemistry of matrix-isolated 5-cyano-2H-pyran-2-one (δ-cyano-α-pyrone) and cyanocyclobuta-1,3-diene, Author is Menke, Jessica L.; McMahon, Robert J., which mentions a compound: 1195-58-0, SMILESS is N#CC1=CC(C#N)=CN=C1, Molecular C7H3N3, Product Details of 1195-58-0.

Matrix-isolation photochem. (λ > 299 nm; Ar, 10 K) of 5-cyano-2H-pyran-2-one (5, δ-cyano-α-pyrone) shows complete conversion to a mixture of several ring-opened ketene isomers (6) and a ring-closed Dewar lactone (7), as detected by IR spectroscopy. Subsequent irradiation (λ > 200 nm) causes decarboxylation of the Dewar lactone (7) to produce cyanocyclobuta-1,3-diene (8). Continued irradiation (λ > 200 nm) results in the photodecomposition of cyanocyclobuta-1,3-diene (8) to cyanoacetylene and acetylene. 4-Cyanopyridine (10) was explored as an alternative photochem. precursor to cyanocyclobuta-1,3-diene (8). It was found, however, that 10 does not exhibit observable photochem. under our irradiation conditions.

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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: Pyridine-3,5-dicarbonitrile( cas:1195-58-0 ) is researched.Computed Properties of C7H3N3.Menke, Jessica L.; McMahon, Robert J. published the article 《Photochemistry of matrix-isolated 5-cyano-2H-pyran-2-one (δ-cyano-α-pyrone) and cyanocyclobuta-1,3-diene》 about this compound( cas:1195-58-0 ) in Canadian Journal of Chemistry. Keywords: photochem matrix isolated cyanopyranone; Dewar lactone produces cyanocyclobutadiene. Let’s learn more about this compound (cas:1195-58-0).

Matrix-isolation photochem. (λ > 299 nm; Ar, 10 K) of 5-cyano-2H-pyran-2-one (5, δ-cyano-α-pyrone) shows complete conversion to a mixture of several ring-opened ketene isomers (6) and a ring-closed Dewar lactone (7), as detected by IR spectroscopy. Subsequent irradiation (λ > 200 nm) causes decarboxylation of the Dewar lactone (7) to produce cyanocyclobuta-1,3-diene (8). Continued irradiation (λ > 200 nm) results in the photodecomposition of cyanocyclobuta-1,3-diene (8) to cyanoacetylene and acetylene. 4-Cyanopyridine (10) was explored as an alternative photochem. precursor to cyanocyclobuta-1,3-diene (8). It was found, however, that 10 does not exhibit observable photochem. under our irradiation conditions.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Pyridine-3,5-dicarbonitrile(SMILESS: N#CC1=CC(C#N)=CN=C1,cas:1195-58-0) is researched.Reference of Ethyl oxazole-5-carboxylate. The article 《Alkylation of pyridine-3,5-dicarboxamide and pyridine-3,5-dicarbonitriles by radical substitution》 in relation to this compound, is published in Journal of Heterocyclic Chemistry. Let’s take a look at the latest research on this compound (cas:1195-58-0).

Structural modification of NAD(P) model compounds, N,N,N’,N’-tetramethylpyridine-3,5-dicarboxamide (1), pyridine-3,5-dicarbonitrile (2), and 4-methylpyridine-3,5-dicarbonitrile (3), have been explored by the reaction with alkyl radicals such as the 1-adamantyl, tert-Bu, and iso-Pr radicals. The alkyl substitutions of compounds 1, 2, and 3 with the 1-adamantyl and the tert-Bu radical gave both 2-mono and 2,6-disubstitution products, whereas the reaction of compound 2 with the iso-Pr radical gave 2-mono- I, 2,4-di-, 2,6-di-, and 2,4,6-trisubstitution products.

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Category: alcohols-buliding-blocks. 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 HMO [Hueckel molecular orbital] calculation and the reactivity of quinolinecarbonitriles and isoquinolinecarbonitriles with nucleophilic reagents.

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

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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 Dihydropyridines. XVII. π-Electronic structure and reactivity of alkyl 3,5-dicyanopyridines, published in 1969, which mentions a compound: 1195-58-0, Name is Pyridine-3,5-dicarbonitrile, Molecular C7H3N3, Safety of Pyridine-3,5-dicarbonitrile.

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 Synthesis and reactions of 3-methyl-5-cyanopyridine under oxidative ammonolysis conditions, published in 1988, which mentions a compound: 1195-58-0, mainly applied to ammoxidation lutidine vanadia titania catalyst; cyanomethylpyridine preparation catalyst; methyl nicotinonitrile preparation catalyst; pyridine cyano methyl preparation catalyst, HPLC of Formula: 1195-58-0.

V2O5-TiO2 (1:32) was recommended over 1:16 V2O5-TiO2, 1:0.5 V2O5-SnO2 and 2:1 V2O5-Fe2O3 for the title synthesis, >90% selectivity with 100% 3,5-butadiene (I) conversion at 340° with 1:24:10:10-40 I-O2-NH3-H2O. The 3,5-dicyanopyridine yield was 4.2-5.3% under these conditions, but reached 65.2% at 380° in the absence of H2O.

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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 Molecular orbital study of the NMR and electronic spectra of monocyanopyridines, dicyanopyridines, and 2,4,6-tricyanopyridine, published in 1970, which mentions a compound: 1195-58-0, Name is Pyridine-3,5-dicarbonitrile, Molecular C7H3N3, Formula: C7H3N3.

The Hueckel MO and SCF methods gave identical results in the determination of quantum-chem. characteristics of 10 cyanopyridines. A good agreement between the exptl. absorption curves and electronic transitions, calculated by the limited configuration interaction (LCI) method, was obtained in the electronic spectra. In the PMR spectra, there was an improved correlation with the exptl. data in the use of the SCF method only in the case of chem. shifts and π-electron d. The application of the SCF orbitals in the place of Hueckel MO in the LCI calculation of the electronic spectra did not improve significantly the description of the π-electron structure of the compounds studied.

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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 Electron-Deficient Heteroarenium Salts: An Organocatalytic Tool for Activation of Hydrogen Peroxide in Oxidations.

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.

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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 Oxidation of organic compounds. XCIV. Synthesis of 3,5-dicyanopyridine by the oxidative ammonolysis of 3,5-butidine, published in 1973, which mentions a compound: 1195-58-0, mainly applied to lutidine ammoxidation; pyridinedicarbonitrile, Product Details of 1195-58-0.

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.

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