Category: 4553-62-2

Category: iodides-buliding-blocks. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Methylglutaronitrile, is researched, Molecular C6H8N2, CAS is 4553-62-2, about Optical recognition of alkyl nitrile by a homochiral iron(II) spin crossover host. Author is Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun.

A homochiral complex 1·MeCN (fac -Λ-[FeL3](ClO4)2·MeCN), where L = was synthesized by the multicomponent self-assembly of (R)-phenylethylamine, 1-methyl-2-imidazolecarboxaldehyde and iron(II) ions in acetonitrile solution X-ray crystallog. anal. revealed that complex 1·MeCN crystallized in the chiral space group P21. The octahedral coordination mononuclear [FeL3]2+ cations are stacked into a left-handed double helix supramol. structure along the a axis with uncoordinated acetonitrile mols. filling the helical channel. When 1·MeCN redissolved in racemic lactonitrile (LN) or methylglutaronitrile (MGN), the [FeL3]2+ cations can recognize one enantiomeric alkyl nitrile by forming 1·1/3(R)-LN or 1·1/3(S)-MGN crystals. 1·1/3(R)-LN and 1·1/3(S)-MGN crystallized in the P212121 space group, and the [FeL3]2+ cations are stacked in a triple helix mode with the enantiomeric alkyl nitrile captured in the helical channel. Magnetic measurement indicated that 1·MeCN displayed spin-crossover at 355 K, while the transition temperature became 220 K after desolvation. However, 1·1/3(R)-LN and 1·1/3(S)-MGN exhibited incomplete and reversible spin-crossover behaviors at ∼363 K. The mononuclear iron(II) complex could be used as a host for racemic alkyl nitrile separation, and the spin-crossover property was influenced by the process of chiral recognition.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

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, Applied Microbiology and Biotechnology called A gram-negative bacterium producing a heat-stable nitrilase highly active on aliphatic dinitriles, Author is Gavagan, J. E.; DiCosimo, R.; Eisenberg, A.; Fager, S. K.; Folsom, P. W.; Hann, E. C.; Schneider, K. J.; Fallon, R. D., which mentions a compound: 4553-62-2, SMILESS is N#CC(C)CCC#N, Molecular C6H8N2, HPLC of Formula: 4553-62-2.

A Gram-neg. bacterial strain, identified as Acidovorax facilis strain 72W, has been isolated from soil by enrichment using 2-ethylsuccinonitrile as the sole nitrogen source. This strain grows on a variety of aliphatic mono- and dinitriles. Experiments using various heating regimes indicate that nitrile hydratase, amidase and nitrilase activities are present. The nitrilase is efficient at hydrolyzing aliphatic dinitriles to cyanoacid intermediates. It has a strong bias for C3-C6 dinitriles over mononitriles of the same chain length. Whole, resting cell hydrolysis of 2-methylglutaronitrile results in 4-cyanopentanoic acid and 2-methylglutaric acid as the major products. Heating, at least 20 min at 50°C, eliminates nitrile hydratase and amidase activities, resulting in greater than 97% selectivity to 4-cyanopentanoic acid. The nitrilase activity has good heat stability, showing a half-life of 22.7 h at 50°C and a temperature optimum of at least 65°C for activity. The strain has been deposited as ATCC 55746.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

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, Applied Microbiology and Biotechnology called Purification, cloning, sequencing and over-expression in Escherichia coli of a regioselective aliphatic nitrilase from Acidovorax facilis 72W, Author is Chauhan, S.; Wu, S.; Blumerman, S.; Fallon, R. D.; Gavagan, J. E.; DiCosimo, R.; Payne, M. S., the main research direction is aliphatic nitrilase Acidovorax sequence regioselectivity.Name: 2-Methylglutaronitrile.

A regioselective aliphatic nitrilase from Acidovorax facilis 72W was purified and characterized, and the corresponding gene was cloned and sequenced. This nitrilase gene was over-expressed in Escherichia coli, generating a microorganism that efficiently and regioselectively catalyzes the conversion of aliphatic dinitriles to cyanocarboxylic acids. The high yields obtained, mild reaction conditions used, and robustness observed make this biocatalyst suitable for industrial applications.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Schuetter, Christoph; Husch, Tamara; Korth, Martin; Balducci, Andrea published the article 《Toward New Solvents for EDLCs: From Computational Screening to Electrochemical Validation》. Keywords: nitrile solvent possible electrolytes; solvent EDLC computational screening electrochem QSPR validation.They researched the compound: 2-Methylglutaronitrile( cas:4553-62-2 ).Reference of 2-Methylglutaronitrile. 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 development of innovative electrolytes is a key aspect of improving electrochem. double layer capacitors (EDLCs). New solvents, new conducting salts as well as new ionic liquids need to be considered. To avoid time-consuming “”trial and error”” experiments, it is desirable to “”rationalize”” this search for new materials. An important step in this direction is the systematic application of computational screening approaches. Via the fast prediction of the properties of a large number of compounds, for instance all reasonable candidates within a given compound class, such approaches should allow to identify of the most promising candidates for subsequent experiments In this work we consider the toy system of all reasonable nitrile solvents up to 12 heavy atoms. To investigate if our recently proposed computational screening strategy is a feasible tool for the purpose of rationalizing the search for new EDLC electrolyte materials, we correlate-in the case of EDLCs for the first time-computational screening results with exptl. findings. For this, experiments are performed on those compounds for which exptl. data is not available from the literature. We find that our screening approach is well suited to pick good candidates out of the set of all reasonable nitriles, comprising almost 5000 compounds

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

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.Krummacher, Jakob; Hess, Lars-Henning; Balducci, Andrea. researched the compound: 2-Methylglutaronitrile( cas:4553-62-2 ).Computed Properties of C6H8N2.They published the article 《Anodic Dissolution of Al Current Collectors in Unconventional Solvents for High Voltage Electrochemical Double-Layer Capacitors》 about this compound( cas:4553-62-2 ) in ChemSusChem. Keywords: anodic dissolution aluminum current collector solvent electrochem capacitor; capacitors; dissolution; electrolytes; high voltage; ion-solvent interactions. We’ll tell you more about this compound (cas:4553-62-2).

This study studied the anodic dissolution of Al current collectors in unconventional electrolytes for high voltage electrochem. double-layer capacitors (EDLCs) containing adiponitrile (ADN), 3-cyanopropionic acid Me ester (CPAME), 2-methyl-glutaronitrile (2-MGN) as solvent, and Et4N+ tetrafluoroborate (Et4NBF4) and Et4N+ bis(trifluoromethanesulfonyl)imide (Et4NTFSI) as conductive salts. To have a comparison with the state-of-the-art electrolytes, the same salts were also used in combination with MeCN (ACN). The chem.-phys. properties of the electrolytes were studied. Also, their impact on the anodic dissolution of Al was analyzed in detail as well as the influence of this process on the performance of high voltage EDLCs. The results of this study indicated that in the case of Et4NBF4-based electrolytes, the use of an alternative solvent is very beneficial for the realization of stable devices. When Et4NTFSI is used, the reduced solubility of the complex Al(TFSI)3 appears to be the key for the realization of advanced electrolytes.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Mathieu, Didier; Defranceschi, Mireille; Lecayon, Gerard; Delhalle, Joseph published an article about the compound: 2-Methylglutaronitrile( cas:4553-62-2,SMILESS:N#CC(C)CCC#N ).Application of 4553-62-2. 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.

RHF/3-21G vibrational frequencies and intensities are calculated for acrylonitrile dimers (S-2-methylglutaronitrile) and pentamers differing by their conformation and/or configuration to comprehend the influence of these 2 structural characteristics on the IR spectra of polyacrylonitrile chains. The isotactic pentamer tends to adopt a (TG)3 helix while for the syndiotactic configuration, 2 conformations of similar total energy are obtained. On the basis of these structures, it is found that the calculated IR spectra follow the reported exptl. trends. Of particular interest is the theor. verification of the exptl. observation made by M. Minagawa et al. (1988) that the intensity ratio between bands at 1230 and 1250 cm-1 depends on the stereochem. structure of polyacrylonitrile and provides a measure of their isotacticity percentage.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Methylglutaronitrile(SMILESS: N#CC(C)CCC#N,cas:4553-62-2) is researched.Safety of 4-(Piperazin-1-yl)phenol. The article 《Microbial degradation of nitrile compounds. Part IV. Fungal degradation of triacrylonitrile》 in relation to this compound, is published in Agricultural and Biological Chemistry. Let’s take a look at the latest research on this compound (cas:4553-62-2).

Two fungal strains (TG-1 and TG-2) which utilized triacrylonitrile (I) as N source were isolated from soil and identified as Fusarium merismoides merismoides and F. solani solani, resp. F. merismoides TG-1 could utilize I, adiponitrile, glutaronitrile, diacrylonitrile, and 2,4-dicyano-1-butene as N sources. Conditions for cultivation of the strain were studied. Degradation products of I were a mixture of 5,7-dicyanoheptanoic acid (62%) and 4,7-dicyanoheptanoic acid (II) (38%). A mixture of 5,7-dicyanoheptanoic acid (11%) and II (89%) was also obtained from the culture broth of F. solani TG-2.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

COA of Formula: C6H8N2. 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: 2-Methylglutaronitrile, is researched, Molecular C6H8N2, CAS is 4553-62-2, about Optical recognition of alkyl nitrile by a homochiral iron(II) spin crossover host. Author is Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun.

A homochiral complex 1·MeCN (fac -Λ-[FeL3](ClO4)2·MeCN), where L = was synthesized by the multicomponent self-assembly of (R)-phenylethylamine, 1-methyl-2-imidazolecarboxaldehyde and iron(II) ions in acetonitrile solution X-ray crystallog. anal. revealed that complex 1·MeCN crystallized in the chiral space group P21. The octahedral coordination mononuclear [FeL3]2+ cations are stacked into a left-handed double helix supramol. structure along the a axis with uncoordinated acetonitrile mols. filling the helical channel. When 1·MeCN redissolved in racemic lactonitrile (LN) or methylglutaronitrile (MGN), the [FeL3]2+ cations can recognize one enantiomeric alkyl nitrile by forming 1·1/3(R)-LN or 1·1/3(S)-MGN crystals. 1·1/3(R)-LN and 1·1/3(S)-MGN crystallized in the P212121 space group, and the [FeL3]2+ cations are stacked in a triple helix mode with the enantiomeric alkyl nitrile captured in the helical channel. Magnetic measurement indicated that 1·MeCN displayed spin-crossover at 355 K, while the transition temperature became 220 K after desolvation. However, 1·1/3(R)-LN and 1·1/3(S)-MGN exhibited incomplete and reversible spin-crossover behaviors at ∼363 K. The mononuclear iron(II) complex could be used as a host for racemic alkyl nitrile separation, and the spin-crossover property was influenced by the process of chiral recognition.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Cordier, Georges published the article 《Influence of the medium on hydrogenation of 2-methylglutaronitrile. Selective access to 2-methylpentane diamine or β-picoline after dehydrogenation》. Keywords: medium effect hydrogenation methylglutaronitrile; selective preparation methylpentanediamine; picoline; dehydrogenation methylpiperidine.They researched the compound: 2-Methylglutaronitrile( cas:4553-62-2 ).SDS of cas: 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.

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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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Application of 4553-62-2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-Methylglutaronitrile, is researched, Molecular C6H8N2, CAS is 4553-62-2, about Deactivation during the hydrogenation of 2-methylglutaronitrile to β-picoline. Author is Lanini, S.; Prins, R..

A strong correlation between conversion and product selectivity was found for the production of β-picoline from 2-methylglutaronitrile in a single-stage process. The conversion had to be maintained at a very high level in order to keep the intermediates concentration low, thus preventing the formation of coke precursors by condensation reactions. The intermediates concentration on the metal surface was strongly influenced by the reaction temperature and the partial pressures. Above 598 K, the selectivity for condensation products decreased sharply, but also the overall conversion decreased. This neg. effect could be compensated by an increased hydrogen partial pressure.

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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com