Category: 1195-58-0

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 Photochemistry of dicyanopyridines, published in 1995-09-13, which mentions a compound: 1195-58-0, mainly applied to photochem dicyanopyridine UV laser flash photolysis, Recommanded Product: Pyridine-3,5-dicarbonitrile.

The photochem. of a variety of dicyanopyridines (2,3-, 2,4-, 2,5-, 2,6-, 3,4- and 3,5-dicyanopyridine) in solution at room temperature was investigated. Pulsed UV (308 nm) laser irradiation in deoxygenated acetonitrile yields the triplet state with lifetimes between 4 and 10 μs and absorption bands in the 400 and 320 nm regions. In the presence of added HCl an air-insensitive transient (τ≈10-12 μs, λmax≈360-380 nm) was observed, suggesting the formation of a protonated excited state. Irradiation in the presence of amines resulted in the production of the pyridyl radical anion (τ≈40-80 μs, air sensitive, λmax≈360-380 nm) formed by electron transfer from the amine to the pyridine triplet excited state. Stern-Volmer anal. gave electron transfer rate constants in the range (1-8)×10-8 M-1s-1. In methanol solvent, irradiation yielded an air-insensitive transient assigned as the neutral pyridyl radical (τ≈30-200 μs, λmax≈370-385 nm). The formation of these transients is discussed in the context of previous photochem. ESR and product studies.

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Kuthan, Josef; Skala, Vratislav published the article 《Dihydropyridines. XVIII. Atom localization energies of monocyanopyridines and symmetrical dicyanopyridines》. Keywords: cyanopyridines localization energy; localization energy cyanopyridines.They researched the compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0 ).Recommanded Product: Pyridine-3,5-dicarbonitrile. 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.

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.

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Formula: 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 Vanadium-titanium-tin oxide catalyst for oxidative ammonolysis of alkylbenzenes and alkylpyridines. Author is Suvorov, B. V.; Belova, N. A.; Stepanova, L. A..

Oxidative ammonolysis of alkylbenzenes and alkylpyridines (p-xylene, pseudocumene, 2-, 3-, and 4-picoline, 2,6- and 3,5-lutidine, 3-ethylpyridine, 2-methyl-5-ethylpyridine, and 2-methyl-5-vinylpyridine) on SnO2-modified Ti V oxide catalyst gave the corresponding nitriles in high yields. The catalyst is activated by water vapor.

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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, 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, COA of Formula: C7H3N3.

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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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 HMO [Hueckel molecular orbital] calculation and the reactivity of quinolinecarbonitriles and isoquinolinecarbonitriles with nucleophilic reagents, published in 1971, which mentions a compound: 1195-58-0, Name is Pyridine-3,5-dicarbonitrile, Molecular C7H3N3, Name: Pyridine-3,5-dicarbonitrile.

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 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 The reduction of pyridine derivatives with lithium aluminum hydride, published in 1953, which mentions a compound: 1195-58-0, mainly applied to , Quality Control of Pyridine-3,5-dicarbonitrile.

When pyridine derivatives (I) with CO2Et or CN groups at the 3- and 5-positions are treated with LiAlH4 (II) the ring system is attacked first; when the 2-, 4-, and 6-positions are substituted, the functional group are reduced. The reductions are carried out by adding a large excess of II in ether to the I in absolute ether with stirring and ice-cooling, treating the mixture with saturated NH4Cl solution, and evaporating the washed ether solution Reduction of 5 g. di-Et 2,6-lutidine-3,5-dicarboxylate in 50 cc. ether with 780 mg. II in 40 cc. ether gives 40% Et 3-hydroxymethyl-2,6-lutidine-5-carboxylate, m. 100-1°; when the mixture is refluxed 2 hrs. 65% 3,5-bis(hydroxymethyl)-2,6-lutidine, m. 141-2°, is obtained. Reduction of di-Me dinicotinate gives 50% di-Me 1,4-dihydrodinicotinate, m. 150-60°, λmaximum 220, 375 mμ (MeOH). Reduction of di-Me 2-methyl-dinicotinate also gives a dihydro derivative, b0.02 115-20°, yellow needles, m. 126°, λmaximum 220, 375 mμ (MeOH). Reduction of 10 g. 2-chloropyridine (III) with 1 g. II at 0° gives unchanged III. Reduction of 1 g. Et picolinate gives 2-pyridine methanol (picrate m. 159°). Reduction of Et 2-pyridyl-acetate gives 2-pyridineëthanol, b15 120° (picrate, m. 120°). Refluxing 50 g. dinicotinic acid with 150 cc. SOCl2 15 hrs. and treating the acid chloride with NH4OH give 26 g. diamide, m. 302°, which, warmed in 130 cc. C5H5N with 19 cc. POCl3 3 hrs at 60°, yields 15 g. dinitrile (IV), m. 113° after sublimation at 70°/1 mm. Reduction of 1 g. IV in 20 cc. ether with 300 mg. II in 10 cc. ether gives 1,4-dihydrodinicotinonitrile, yellow crystals, m. 197°, λmaximum 360 mμ (MeOH). Similar reduction of 0.43 g. 2,6-lutidine-3,5-dicarbonitrile gives the 1,4-dihydro derivative, yellow crystals, m. 225°, λmaximum 362.5 mμ (MeOH). Catalytic hydrogenation of 0.5 g. IV in 20 cc. MeOH 3 hrs. with 50 mg. PtO2, 0.5 g., gives a dihydro derivative with λmax. 360 mμ which reduces neutral AgNO3. Adding (0.5 hr.) 6.5 g. II in 300 cc. ether to 46 g. Me nicotinate in 300 cc. ether at 0°, decomposing the mixture with NH4Cl, and distilling the residue of the ether extract give 31.3 g. 3-pyridine methanol, b0.1 110° (picrate, m. 158-60°). The difference in the behavior of the pyridine esters and nitriles toward II is explained as resulting from the different polarization of the pyridine rings in these compounds

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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.SDS of cas: 1195-58-0.Liao, Peilin; Getman, Rachel B.; Snurr, Randall Q. published the article 《Optimizing Open Iron Sites in Metal-Organic Frameworks for Ethane Oxidation: A First-Principles Study》 about this compound( cas:1195-58-0 ) in ACS Applied Materials & Interfaces. Keywords: metal organic framework open iron site ethane oxidation; DFT; catalyst screening; ethane; ethanol; metal−organic frameworks; nitrous oxide. Let’s learn more about this compound (cas:1195-58-0).

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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Product Details of 1195-58-0. 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 Organosilicon compounds. XX. Synthesis of aromatic diamines via trimethylsilyl-protecting aniline intermediates. Author is Pratt, J. Richard; Massey, W. Dale; Pinkerton, Frank H.; Thames, Shelby F..

A synthetic approach utilizing a Me3Si protecting group was used to produce Si and diketo containing diamines. Thus, the halogen-metal interchange of N,N-bis(trimethylsilyl)bromoanilines with BuLi in ether produced Li derivatives, which were treated with dichloro silanes or dinitriles to afford the N,N-bis(trimethylsilyl)silicon containing dianilines or the corresponding lithioimines, resp. Hydrolysis removed the trimethylsilyl protecting groups and converted the lithioimines to the carbonyl compounds to afford the free diamines.

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Application of 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 Two-Phase Oxidations with Aqueous Hydrogen Peroxide Catalyzed by Amphiphilic Pyridinium and Diazinium Salts.

Amphiphilic pyridinium and diazinium salts were shown to be effective catalysts in two-phase (water/chloroform or water/dichloromethane) sulfoxidations and N-oxidations with hydrogen peroxide under mild conditions. This unprecedented oxidation method utilizes covalent bonding of hydrogen peroxide to a simple pyridinium or diazinium nucleus to increase the lipophilicity of the hydroperoxide species and to subsequently activate it for oxidations in a non-polar medium. The catalytic efficiency was found to depend on the type of heteroarenium core and on the lipophilicity of the catalyst. Five series of heteroarenium catalysts were prepared and investigated: 1-Alkyl-3,5-dicyanopyridinium, 1-alkyl-3,5-dinitropyridinium, 1-alkyl-3-cyanopyrazinium, 1-alkyl-4-cyanopyrimidinium and 1-alkyl-4-(trifluoromethyl)pyrimidinium triflates (alkyl=butyl, hexyl, octyl, decyl, dodecyl and hexadecyl). Among them, the 1-octyl-3,5-dinitropyridinium and 1-decyl-4-(trifluoromethyl)pyrimidinium triflates were found to be superior catalysts, showing the best stability and the highest catalytic activity, achieving acceleration by a factor of 350 relative to the non-catalyzed reaction. In contrast to other organocatalytic two-phase oxidations that use hydrogen peroxide, the presented method is characterized by high chemoselectivity and low catalyst loading (5 mol%) and with the reactions being performed under mild conditions, i.e., at 25° using diluted hydrogen peroxide and a non-basic aqueous phase. The catalysts have simple structures and are readily available from com. materials. Practical applications are demonstrated via the oxidation of several types of sulfides and amines.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Reaction of Grignard reagent with 3,5-dicyanopyridines》. Authors are Lukes, R.; Kuthan, J..The article about the compound:Pyridine-3,5-dicarbonitrilecas:1195-58-0,SMILESS:N#CC1=CC(C#N)=CN=C1).Related Products of 1195-58-0. Through the article, more information about this compound (cas:1195-58-0) is conveyed.

Et2O solutions of 3,5-dicyanopyridines reacted at 20-40° with MeMgI (Ia) or EtMgBr (Ib) in 4-6-fold excess to form NH.CR1:C(CN).CR2:C(CN).CHR3 or NH.CR1:C(CN).CHR2.C(CN):CR3. The following were prepared: R1 = R2 = R3 = H (I); R1 = R2 = H, R3 = Me (II); R1 = R3 = H, R2 = Et (III); R1 = Me, R2 = R3 = H (IV); R1 = R3 = Me, R3 = H (V); R1 = R3 = Me, R2 = H (VI); R1 = H, R2 = R3 = Me (VII); R1 = H, R2 = Me, R3 = Et (VIII); R1 = H, R2 = Et, R3 = Me (IX); R1 = R3 = Me, R2 = H (X); R1 = R2 = R3 = Me (XI); R1 = R2 = H, R3 = Me (XII); R1 = R3 = H, R2 = Et (XIII); R1 = R2 = Me, R3 = H (XIV); R1 = R2 = R3 = Me (XV). I with Ia gave 76% XII, I with Ib 65% XIII, II with Ia 66% VII, II with Ib 48% VIII, III with Ia 89% IX, IV with Ia about 43% X and XIV, V with Ia 82% XI, VI with Ia 35% XV.

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