Tag: M.W=100-200

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.Hess, Steffen; Wohlfahrt-Mehrens, Margret; Wachtler, Mario researched the compound: 2-Methylglutaronitrile( cas:4553-62-2 ).Electric Literature of C6H8N2.They published the article 《Flammability of Li-Ion Battery Electrolytes: Flash Point and Self-Extinguishing Time Measurements》 about this compound( cas:4553-62-2 ) in Journal of the Electrochemical Society. Keywords: flammability lithium battery electrolyte flash point self extinguishing safety. We’ll tell you more about this compound (cas:4553-62-2).

The flammability of electrolytes is an important aspect of the thermal safety behavior of Li-ion batteries. Flash points (FPs) and self-extinguishing times (SETs) of 25 solvents (including carbonates, ethers, esters, lactones, dinitriles, a sulfone, and others), 3 solvent mixtures, and 15 electrolytes are presented. The FPs have been measured according to the Abel and Pensky-Martens closed-cup methods using 12 mL of sample and elec. ignition. The SETs have been determined with the pure liquids, without any carrier substrates. A correlation of the FPs with the SETs, as well as with vapor pressures and b.ps. is attempted. Furthermore, the effect of the addition of two non-flammable solvents [1-butyl-1-methylpyrrolidinium bis(trifluoromethyl-sulfonyl)imide and Me nonafluorobutyl ether] and a flame-retardant additive (tri-Me phosphate) on both the SET and the FP of a carbonate-based electrolyte is discussed. As an alternative to their exptl. determination, the FPs of the pure solvents have been calculated from other phys. and chem. properties of the substance, and the FPs of the solvent mixtures and electrolytes from the FPs of their flammable constituents. Some of the models predict the FPs with an accuracy of ± 10°C, which may be sufficient to estimate the flammability hazards for many applications.

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

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 60827-45-4, is researched, Molecular C3H7ClO2, about A novel method for the generation of (R)- and (S)-3-chloro-1,2-propanediol by stereospecific dehalogenating bacteria and their use in the preparation of (R)- and (S)-glycidol, the main research direction is resolution chloropropandiol stereospecific dehalogenating bacteria; glycidol.Related Products of 60827-45-4.

A novel and effective method for the preparation of highly pure optically active (R)- and (S)-3-chloro-1,2-propanediol (99.5% ee and 99.4% ee, resp.) was established based on stereospecific dehalogenation and assimilation with bacteria. From these intermediates highly pure optically active (R)- and (S)-glycidol (99.3% ee and 99.4% ee, resp.) were prepared

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

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: Mesitylcopper(I), is researched, Molecular C9H11Cu, CAS is 75732-01-3, about Facile assembly of a Cu9 amido complex: a new tripodal ligand design that promotes transition metal cluster formation.Reference of Mesitylcopper(I).

A tripodal amido ligand, [P(CH2NArCF3)3]H3 (ArCF3 = C6H3-3,5-(CF3)2), with a central non-chelating phosphorus donor allows for the facile assembly of a pentane soluble organometallic copper cluster, [P(CH2NArCF3)3]2Cu9(μ-2,4,6-Me3C6H2)3, with a central copper atom surrounded by a nonplanar chain of eight copper atoms and two terminal amido-copper bonds.

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

Quality Control 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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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: Mesitylcopper(I)(SMILESS: [Cu]C1=C(C)C=C(C)C=C1C,cas:75732-01-3) is researched.Quality Control of 2-Methylglutaronitrile. The article 《Synthesis of Copper(I) Complexes with Ketimide and Hydrazide Ligands》 in relation to this compound, is published in Journal of Cluster Science. Let’s take a look at the latest research on this compound (cas:75732-01-3).

Copper(I) chloride reacted with lithium ketimides to form tetrameric homoleptic copper(I) ketimide complexes, [Cu(N:CR2)]4, where R = t-Bu or Ph. Mesityl copper reacted with excess 1-trimethylsilylmethyl-2,2,-dimethylhydrazine to give the mixed ligand complex (2,4,6-C6Me3H2)Cu4[N(SiMe3)NMe2]3. Single-crystal x-ray crystallog. studies revealed that the three complexes have eight-member ring structures in which the ring has a hinged or butterfly shape. Although an eight-member ring structure is common for copper(I) amido, alkyl, and aryl clusters, the structure of [Cu(N:C-t-Bu2)]4 is unusual because the hinge angle is significantly smaller than is common, resulting in short Cu···Cu contacts compared to related complexes.

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

Synthetic Route of C6H8N2. 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: 2-Methylglutaronitrile, is researched, Molecular C6H8N2, CAS is 4553-62-2, about Cloning of a nitrilase gene from the cyanobacterium Synechocystis sp. strain PCC6803 and heterologous expression and characterization of the encoded protein.

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

Lok, C. M.; Ward, J. P.; Van Dorp, D. A. published the article 《The synthesis of chiral glycerides starting from D- and L-serine》. Keywords: glyceride chiral synthesis serine.They researched the compound: (2S)-(+)-3-Chloropropane-1,2-diol( cas:60827-45-4 ).HPLC of Formula: 60827-45-4. 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:60827-45-4) here.

Chiral glycerides were prepared starting from D- and L-serine by a multistep stereospecific sequence. E.g., L-serine was converted by diazotization and esterification into Me L-glycerate, this by acetalization and reduction to 2,3-O-isopropylidene-sn-glycerol, which was converted by sequential chlorination, hydrolysis, and cyclocondensation to D-glycidol (I). I could be acylated, then esterified with a fatty acid to give a diglyceride mixture, which could be isomerized by heating to 100% 1,3-diglycerides, or its hydroxyl group could be protected by a trityl group and it could be converted into a 1,2-diglyceride. Both types of diglycerides could be converted conventionally into sn-triglycerides.

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

Quality Control of Mesitylcopper(I). Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Mesitylcopper(I), is researched, Molecular C9H11Cu, CAS is 75732-01-3, about An efficient, versatile, and safe access to supported metallic nanoparticles on porous silicon with ionic liquids. Author is Darwich, Walid; Haumesser, Paul-Henri; Santini, Catherine C.; Gaillard, Frederic.

The metalization of porous silicon (PSi) is generally realized through phys. vapor deposition (PVD) or electrochem. processes using aqueous solutions The former uses a strong vacuum and does not allow for a conformal deposition into the pores. In the latter, the water used as solvent causes oxidation of the silicon during the reduction of the salt precursors. Moreover, as PSi is hydrophobic, the metal penetration into the pores is restricted to the near-surface region. Using a solution of organometallic (OM) precursors in ionic liquid (IL), we have developed an easy and efficient way to fully metalize the pores throughout the several-μm-thick porous Si. This process affords supported metallic nanoparticles characterized by a narrow size distribution. This process is demonstrated for different metals (Pt, Pd, Cu, and Ru) and can probably be extended to other metals. Moreover, as no reducing agent is necessary (the decomposition in an argon atm. at 50°C is fostered by surface silicon hydride groups borne by PSi), the safety and the cost of the process are improved.

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

Electric Literature of C3H7ClO2. 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: (2S)-(+)-3-Chloropropane-1,2-diol, is researched, Molecular C3H7ClO2, CAS is 60827-45-4, about Biosynthesis of (R)-epichlorohydrin at high substrate concentration by kinetic resolution of racemic epichlorohydrin with a recombinant epoxide hydrolase. Author is Jin, Huo-Xi; Liu, Zhi-Qiang; Hu, Zhong-Ce; Zheng, Yu-Guo.

The substrate concentration and yield were shown to be very low in the production of (R)-epichlorohydrin by hydrolysis of racemic epichlorohydrin using epoxide hydrolases in previous studies. In this work, we synthesized an epoxide hydrolase gene from Agrobacterium radiobacter and expressed it in Escherichia coli by the PCR assembly method. The recombinant A. radiobacter epoxide hydrolase (ArEH) was applied in the preparation of (R)-epichlorohydrin and, a yield of 42.7% with ≥99% enantiomeric excess (ee) from 25.6 mM racemic epichlorohydrin was obtained. However, the ee of (R)-epichlorohydrin was not able to reach 99% due to substrate and product inhibition when the substrate concentration was over 320 mM. Inhibition studies revealed that (S)-3-chloro-1,2-propanediol displayed non-competitive inhibition in the conversion of (S)-epichlorohydrin but non-significant inhibition for (R)-epichlorohydrin. Moreover, ArEH was successfully applied in the preparation of (R)-epichlorohydrin at high substrate concentration by eliminating the substrate inhibition. The substrate concentration increased to 448 mM by intermittent feeding of the substrate and to 512 mM by using a two-phase reaction system, with a high yield (>27%) and ee (>98%) of (R)-epichlorohydrin. This is the first report of high-yield production of (R)-epichlorohydrin at high substrate concentration, laying the foundations for its application on the industrial scale.

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

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Mesitylcopper(I), is researched, Molecular C9H11Cu, CAS is 75732-01-3, about LCu(μ-X)2CuL compounds: An induced cuprophilic interaction, the main research direction is copper phenylphosphine cyclohexylphosphine pentafluorophenol fluoromethylmethanol fluoromethylbenzenemethanol complex preparation; mol optimization luminescence copper phenylphosphine cyclohexylphosphine pentafluorophenol fluoromethylmethanol fluoromethylbenzenemethanol; crystal structure copper phenylphosphine cyclohexylphosphine pentafluorophenol fluoromethylmethanol fluoromethylbenzenemethanol.Formula: C9H11Cu.

A trio of dimeric copper(I) complexes of the formula [(Ph3P)Cu(μ-X)2Cu(PPh3)] (X = OC6F5, 1, OC4F9, 2, OCPh(CF3)2, 3) were prepared and characterized by X-ray crystallog., elemental anal., and NMR spectroscopy (1H, 13C, 19F, 31P), as was the monomeric [(cy3P)Cu(OC4F9)] (cy = cyclohexyl, 4). Solution conductivity studies demonstrate that all three new dinuclear compounds, as well as the known [(Ph3P)Cu(μ-OC4H9)2Cu(PPh3)], 2-H, are neutral species in solution and do not rearrange into ion pairs. The fold angle (β) varies among these four dimers and the Cu(I)···Cu(I) distance in the structure of 2, 2.8315(5) Å, is cuprophilic. The Cu(I)···Cu(I) distances for 1, 2-H, and 3 are 3.0533(5), 2.890(2), and 3.0169(6) Å resp. D. functional theory (DFT) calculations were performed on 1, 2, 3, and 2-H, as well as the hypothetical 1-H, and several related models. Five PMe3 models, 1(Me), 1-H(Me), 2(Me), 2-H(Me), and 3(Me) were also studied as well as five monomers [(Me3P)CuX] 1-mon, 1-H(mon), 2-mon, 2-H(mon), and 3-mon to understand the electronic reasons for folding in this group of compounds A Natural Energy Decomposition Anal. (NEDA) indicates that electrostatic stabilizations are the dominant factor governing the strength of interaction between monomeric fragments in 1(Me)-3(Me). NBO anal. reveals that 1(Me) and 1-H(Me) do not display any cuprophilic interactions. The folding angle observed in 2(Me), 2-H(Me), and 3(Me), which is correlated with an increased delocalization from the oxygen 2pz lone pairs, brings the metal centers into sufficient propinquity to have weak Cu···Cu orbital interactions. Weak luminescence behavior at room-temperature is also consistent with these assignments.

After consulting a lot of data, we found that this compound(75732-01-3)Formula: C9H11Cu can be used in many types of reactions. And in most cases, this compound has more advantages.

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