Category: 4553-62-2

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: 4553-62-2, is researched, SMILESS is N#CC(C)CCC#N, Molecular C6H8N2Journal, Article, Research Support, Non-U.S. Gov’t, Bioorganic & Medicinal Chemistry called Synthesis and biological evaluation of aroylguanidines related to amiloride as inhibitors of the human platelet Na+/H+ exchanger, Author is Laeckmann, Didier; Rogister, Francoise; Dejardin, Jean-Victor; Prosperi-Meys, Christelle; Geczy, Joseph; Delarge, Jacques; Masereel, Bernard, the main research direction is pyridine benzene isostere amiloride preparation sodium hydrogen exchanger inhibitor; structure amiloride isostere activity inhibitor sodium hydrogen exchanger.SDS of cas: 4553-62-2.

Pyridine and benzene bioisosteres of amiloride such as I and II were synthesized and evaluated for their inhibitory potency against the sodium-hydrogen exchanger involved in intracellular pH regulation. Substituted diaminochloro-2-pyridinecarbonyl and diaminochloro-3-pyridinecarbonyl guanidines are prepared from 2-chloro-6-methyl-3,5-dinitropyridine and 2-methyl-1,5-pentanedinitrile, resp. Dichloro- and trichloropyridine-3-carbonyl guanidines, and simple pyridinecarbonyl and benzoyl guanidines are also prepared Several benzene derivatives and compounds bearing an carbonylguanidine moiety in the meta position of the pyridine nitrogen were much more potent than amiloride, but less so than the pyrazine inhibitor III (R = Et; R1 = Me2CH). II is the most active mol. in assays measuring the reduction in human platelet swelling due to sodium ion uptake and in assays of the inhibition of sodium ion uptake, with IC50 values of 0.8 μM in both assays. Replacement of the pyrazine ring of amiloride III (R = R1 = H) by a pyridine or a Ph ring improved the inhibitory potency for the sodium-hydrogen exchanger involved in intracellular pH regulation in the order Ph > pyridine > pyrazine.

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Related Products of 4553-62-2. 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: 2-Methylglutaronitrile, is researched, Molecular C6H8N2, CAS is 4553-62-2, about Inhalation toxicity of methylglutaronitrile in rats. Author is Kelly, D. P.; Frame, S. R.; Malley, L. A.; Everds, N. E.; Kennedy, G. L. Jr..

Methylglutaronitrile (MGN) is a high-boiling (263°) solvent/intermediate used in the fiber industry. Twenty male rats per group were exposed nose-only to condensation aerosol/vapor concentrations of approx. either 5, 25, or 200 mg/m3 MGN for 6 h/day, 5 days/wk over a 4-wk period. Ten rats/group were sacrificed 1 day after the final exposure and the remaining rats after a 4-wk recovery period. No effects were observed in clin. observations during the exposure period, but body-weight depression was observed in the 200-mg/m3 group. The 200-mg/m3 group showed minimal decreases in red blood cell count, Hb, and hematocrit values accompanied by increases in reticulocytes. There were no other effects observed in clin. or pathol. evaluations in the study. A neurobehavioral battery of tests (including grip strength, functional observational battery, and motor activity tests) given at the end of the exposure and recovery periods showed no MGN effects. During the 4-wk recovery, body weights in the 200-mg/m3 group returned to normal and the hematol. findings in all the groups were normal. Based on the above findings of body weight depression at 200 mg/m3, the no-observed-adverse-effect level (NOAEL) for this study was considered to be 25 mg/m3.

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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 Influence of the medium on hydrogenation of 2-methylglutaronitrile. Selective access to 2-methylpentane diamine or β-picoline after dehydrogenation, published in 1995, which mentions a compound: 4553-62-2, Name is 2-Methylglutaronitrile, Molecular C6H8N2, Application In Synthesis of 2-Methylglutaronitrile.

A conference. The 2-methylglutaronitrile (I) is obtained as a byproduct of the important adiponitrile production It, nevertheless, gives rise to interesting chem. transformations. In particular, its hydrogenation can produce 2-methylpentanediamine, a substitute for hexamethylenediamine in polyamide or polyurethane compounds The 3-methylpiperidine, also produced by hydrogenation of I, can be an interesting intermediate for β-picoline production involved in the synthesis of PP vitamin. Using Raney nickel as the catalyst, hydrogenation reactions were performed in various liquid phase compositions 2-Methylpentanediamine was obtained very selectively. The reaction product can be used itself as solvent. Addition of dry ammonia in ethanol in the place of isopropanol / KOH or NaOH medium leads to a mixture of 2-methylpentanediamine, 3-methylpiperidine and some heavy byproducts. This mixture can be cyclized and dehydrogenated to β-picoline (3-methylpyridine) on a special and very efficient Pd/SiO2 catalyst. The two processes have been patented by Rhone-Poulenc.

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Kelly, D. P.; Frame, S. R.; Malley, L. A.; Everds, N. E.; Kennedy, G. L. Jr. published an article about the compound: 2-Methylglutaronitrile( cas:4553-62-2,SMILESS:N#CC(C)CCC#N ).Computed Properties of C6H8N2. 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:4553-62-2) through the article.

Methylglutaronitrile (MGN) is a high-boiling (263°) solvent/intermediate used in the fiber industry. Twenty male rats per group were exposed nose-only to condensation aerosol/vapor concentrations of approx. either 5, 25, or 200 mg/m3 MGN for 6 h/day, 5 days/wk over a 4-wk period. Ten rats/group were sacrificed 1 day after the final exposure and the remaining rats after a 4-wk recovery period. No effects were observed in clin. observations during the exposure period, but body-weight depression was observed in the 200-mg/m3 group. The 200-mg/m3 group showed minimal decreases in red blood cell count, Hb, and hematocrit values accompanied by increases in reticulocytes. There were no other effects observed in clin. or pathol. evaluations in the study. A neurobehavioral battery of tests (including grip strength, functional observational battery, and motor activity tests) given at the end of the exposure and recovery periods showed no MGN effects. During the 4-wk recovery, body weights in the 200-mg/m3 group returned to normal and the hematol. findings in all the groups were normal. Based on the above findings of body weight depression at 200 mg/m3, the no-observed-adverse-effect level (NOAEL) for this study was considered to be 25 mg/m3.

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Application In Synthesis of 2-Methylglutaronitrile. 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: 2-Methylglutaronitrile, is researched, Molecular C6H8N2, CAS is 4553-62-2, about Chemoenzymic Production of Lactams from Aliphatic α,ω-Dinitriles. Author is Gavagan, John E.; Fager, Susan K.; Fallon, Robert D.; Folsom, Patrick W.; Herkes, Frank E.; Eisenberg, Amy; Hann, Eugenia C.; DiCosimo, Robert.

Five- and six-membered ring lactams have been prepared by first converting an aliphatic α,ω-dinitrile to an ω-cyano carboxylic acid ammonium salt, using a microbial cell catalyst having an aliphatic nitrilase activity (Acidovorax facilis 72W, ATCC 55746) or a combination of nitrile hydratase and amidase activities (Comamonas testosteroni 5-MGAM-4D, ATCC 55744). The ω-cyano carboxylic acid ammonium salt was then directly converted to the lactam by hydrogenation in aqueous solution, without isolation of the intermediate ω-cyano carboxylic acid or ω-amino carboxylic acid. Only one of two possible lactam products was produced from α-alkyl-substituted α,ω-dinitriles, where the nitrilase of A. facilis 72W regioselectively hydrolyzed only the ω-cyano group to produce a single cyano carboxylic acid ammonium salt in greater than 98% yield.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Oligomers. XVI. Oligomers of acrylonitrile. II. Polymerization and degradation investigations》. Authors are Zahn, Helmut; Schafer, Paul.The article about the compound:2-Methylglutaronitrilecas:4553-62-2,SMILESS:N#CC(C)CCC#N).Reference of 2-Methylglutaronitrile. Through the article, more information about this compound (cas:4553-62-2) is conveyed.

cf. C.A. 53, 13993c. The polymerization of acrylonitrile with dodecyl mercaptan in the presence of pyridine resulted in a polymer of average mol. weight 950. From 170° on, melting oligomers with mol. weights from 280 were obtained by fractional precipitation Some HCN has been split off during thermal degradation of polyacrylonitrile. The liquid products formed at 550° were shown to be mainly nitriles which could be separated into 4 fractions. Acrylonitrile and a dimer could be found, the latter was identical with synthetic 1,3-dicyanobutane. 33 references.

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Safety of 2-Methylglutaronitrile. 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: 2-Methylglutaronitrile, is researched, Molecular C6H8N2, CAS is 4553-62-2, about Accurate density functional calculation of core electron binding energies. Part V: application to nitriles. Model molecules for polyacrylonitrile revisited. Author is Bureau, C.; Chong, D. P.; Lecayon, G.; Delhalle, J..

A recent procedure for computing accurate core electron binding energies (CEBEs) via d. functional theory is applied to acetonitrile, propionitrile, 2-cyanopropane, acrylonitrile, methacrylonitrile and the 2-methylglutaronitrile conformer of lowest energy. The first three systems have been studied in the past as model compounds to interpret the XPS spectrum of polyacrylonitrile (PAN) using post-Hartree-Fock finite-difference calculations, in order to solve a controversy in the assignment of chem. shifted atoms in the C1s region. This assignment is revisited with the unrestricted generalized transition-state model and a combined functional of Becke’s 1988 exchange with Perdew’s 1986 correlation. Using Dunning’s correlation-consistent polarized valence triple zeta basis sets with scaling improvements, we obtain predicted CEBEs for gas-phase acetonitrile, propionitrile and acrylonitrile in remarkable agreement with experiment (average absolute deviation 0.09 eV). The CEBEs of these systems confirm the overall trends of the previous attributions of their resp. gas-phase XPS spectrum, except in the case of propionitrile. These results, as well as those on 2-cyanopropane, methacrylonitrile and 2-methylglutaronitrile, bring some addnl. information on the extrapolation of the results to the assignment of the C1s contributions of polyacrylonitrile.

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Heinemann, Ute; Engels, Dirk; Buerger, Sibylle; Kiziak, Christoph; Mattes, Ralf; Stolz, Andreas published the article 《Cloning of a nitrilase gene from the cyanobacterium Synechocystis sp. strain PCC6803 and heterologous expression and characterization of the encoded protein》. Keywords: nitrilase Synechocystis nitrile biotransformation.They researched the compound: 2-Methylglutaronitrile( cas:4553-62-2 ).HPLC of Formula: 4553-62-2. 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:4553-62-2) here.

The gene encoding a putative nitrilase was identified in the genome sequence of the photosynthetic cyanobacterium Synechocystis sp. strain PCC6803. The gene was amplified by PCR and cloned into an expression vector. The encoded protein was heterologously expressed in the native form and as a His-tagged protein in Escherichia coli, and the recombinant strains were shown to convert benzonitrile to benzoate. The active enzyme was purified to homogeneity and shown by gel filtration to consist probably of 10 subunits. The purified nitrilase converted various aromatic and aliphatic nitriles. The highest enzyme activity was observed with fumarodinitrile, but also some rather hydrophobic aromatic (e.g., naphthalenecarbonitrile), heterocyclic (e.g., indole-3-acetonitrile), or long-chain aliphatic (di-)nitriles (e.g., octanoic acid dinitrile) were converted with higher specific activities than benzonitrile. From aliphatic dinitriles with less than six carbon atoms only 1 mol of ammonia was released per mol of dinitrile, and thus presumably the corresponding cyanocarboxylic acids formed. The purified enzyme was active in the presence of a wide range of organic solvents and the turnover rates of dodecanoic acid nitrile and naphthalenecarbonitrile were increased in the presence of water-soluble and water-immiscible organic solvents.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Theory of chain-end activated degradation of heterodisperse polymers》. Authors are Gordon, Manfred.The article about the compound:2-Methylglutaronitrilecas:4553-62-2,SMILESS:N#CC(C)CCC#N).Application In Synthesis of 2-Methylglutaronitrile. Through the article, more information about this compound (cas:4553-62-2) is conveyed.

The theory treated steady-state degradation. Previous data on the initial degradation rates of poly-(methyl methacrylate) as a function of DPn (mean chain length) were fitted to asymptotic solutions for high and low DPn, but diverged largely from the solution for intermediate regions. Because of the simplicity of the solution for exponentially distributed polymer, a small random scission component, superposed on chain-end activated zipping, was treated with ample accuracy to fit published data for DPn decay during degradation of polystyrene. The data were not sufficiently accurate to distinguish between random splitting, weak-link scission, or scission following chain transfer to polymer. The rate curves on low-mol.-weight polystyrene at high temperature by Madorsky (C.A. 46, 10813h) were fitted to the improved theory, assuming termination by disproportionation. The data of Grassie and Kerr (C.A. 46, 7857f; 51, 12611d) for high-mol.-weight polystyrene at low temperature was fitted, assuming 1st-order radical termination.

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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: 4553-62-2, is researched, SMILESS is N#CC(C)CCC#N, Molecular C6H8N2Journal, Article, Proceedings of the National Academy of Sciences of the United States of America called Optimizing organic electrosynthesis through controlled voltage dosing and artificial intelligence, Author is Blanco, Daniela E.; Lee, Bryan; Modestino, Miguel A., the main research direction is optimizing organic electrosynthesis controlled voltage dosing artificial intelligence; artificial intelligence; electrochemical pulse techniques; neural network; organic electrosynthesis; voltage dosing.Quality Control of 2-Methylglutaronitrile.

Organic electrosynthesis can transform the chem. industry by introducing electricity-driven processes that are more energy efficient and that can be easily integrated with renewable energy sources. However, their deployment is severely hindered by the difficulties of controlling selectivity and achieving a large energy conversion efficiency at high c.d. due to the low solubility of organic reactants in practical electrolytes. This control can be improved by carefully balancing the mass transport processes and electrocatalytic reaction rates at the electrode diffusion layer through pulsed electrochem. methods. The authors explore these methods in the context of the electrosynthesis of adiponitrile (ADN), the largest organic electrochem. process in industry. Systematically exploring voltage pulses in the timescale between 5 and 150 ms led to a 20% increase in production of ADN and a 250% increase in relative selectivity with respect to the state-of-the-art constant voltage process. Also, combining this systematic exptl. study with artificial intelligence (AI) tools allowed the authors to rapidly discover drastically improved electrosynthetic conditions, reaching improvements of 30 and 325% in ADN production rates and selectivity, resp. This powerful AI-enhanced exptl. approach represents a paradigm shift in the design of electrified chem. transformations, which can accelerate the deployment of more sustainable electrochem. manufacturing processes.

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