Tag: M.W=100-200

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 Mechanistic Studies on the Copper-Catalyzed N-Arylation of Amides, published in 2009-01-14, which mentions a compound: 75732-01-3, mainly applied to Ullmann Goldberg reaction; copper catalysis arylation amides mechanism; crystallog dimeric diamine ligated copper iodide complex, HPLC of Formula: 75732-01-3.

The copper-catalyzed N-arylation of amides, i.e., the Goldberg reaction, is an efficient method for the construction of products relevant to both industry and academic settings. Herein, we present mechanistic details concerning the catalytic and stoichiometric N-arylation of amides. In the context of the catalytic reaction, our findings reveal the importance of chelating diamine ligands in controlling the concentration of the active catalytic species. The consistency between the catalytic and stoichiometric results suggests that the activation of aryl halides occurs through a 1,2-diamine-ligated copper(I) amidate complex. Kinetic studies on the stoichiometric N-arylation of aryl iodides using 1,2-diamine ligated Cu(I) amidates also provide insights into the mechanism of aryl halide activation.

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

Recommanded Product: (2S)-(+)-3-Chloropropane-1,2-diol. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: (2S)-(+)-3-Chloropropane-1,2-diol, is researched, Molecular C3H7ClO2, CAS is 60827-45-4, about Optical isomers of chloropropanols: Mechanisms of their formation and decomposition in foods. Author is Dolezal, Marek; Velisek, Jan.

Protein hydrolyzates produced by hydrochloric acid hydrolysis were analyzed for 3-chloropropane-1,2-diol and its enantiomers. It was found that (R)-3-chloropropane-1,2-diol and (S)-3-chloropropane-1,2-diol were present in the hydrolyzates in equimolar concentrations Model system experiments with glycerol, triolein and soy lecithin heated with hydrochloric acid in solution showed that these materials were precursors of 3-chloropropane-1,2-diol and yielded racemic mixtures of its enantiomers. Yields of 3-chloropropane-1,2-diols decreased in the order triolein > lecithin > glycerol. Mechanisms of 3-chloropropane-1,2-diol enantiomer formation during the production of protein hydrolyzates are presented and discussed as well as reaction pathways of their decomposition in alk. media via the corresponding (R)- and (S)-hydroxymethyloxiranes. In alk. media both 3-chloropropane-1,2-diol enantiomers decomposed at the same rate.

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

Huse, Kevin; Weinert, Hanns; Woelper, Christoph; Schulz, Stephan published an article about the compound: Mesitylcopper(I)( cas:75732-01-3,SMILESS:[Cu]C1=C(C)C=C(C)C=C1C ).SDS of cas: 75732-01-3. 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:75732-01-3) through the article.

Two copper complexes 17Fnac2Cu(C6H6) and 17Fnac2CuCO containing the monoanionic, perfluorinated β-diketiminate 17Fnac2- ligand (I) (17Fnac2 = FC[C(CF3)N(C6F5)]2) were synthesized and characterized by IR and NMR spectroscopy (1H, 13C, 19F), cyclovaltammometry (CV), elemental anal. and single crystal X-ray diffraction. The perfluorinated 17Fnac2- ligand marginally reduces the π-back-bonding capacity of the copper center to the carbonyl group in 17Fnac2CuCO when compared with the corresponding 16Fnac2- substituted complexes but substantially when compared with the fluorine free substituted derivatives Quantum chem. calculations gave deeper insight into the bonding situation of this carbonyl complex, while CV studies were performed to determine the oxidation potential of 17Fnac2Cu(C6H6) in solution Based on these data, the influence of the degree of fluorination in different β-diketimine ligands on the electronic nature of the corresponding copper complexes is discussed.

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

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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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: (2S)-(+)-3-Chloropropane-1,2-diol(SMILESS: OC[C@H](O)CCl,cas:60827-45-4) is researched.Product Details of 149554-29-0. The article 《Production of highly optically active (R)-3-chloro-1,2-propanediol using a bacterium assimilating the (S)-isomer》 in relation to this compound, is published in Applied Microbiology and Biotechnology. Let’s take a look at the latest research on this compound (cas:60827-45-4).

A bacterium that assimilates (S)-3-chloro-1,2-propanediol [monochlorohydrin (MCH)] was isolated from soil by enrichment culture. The bacterium was identified as Pseudomonas sp. by taxonomic studies. The strain grew in a medium containing racemic MCH as a source of carbon and degraded (S)-MCH stereoselectively, liberating chloride ions. The residual isomer was the (R)-form [99.5% enantiomeric excess (ee)], which was obtained from the racemate in a final yield of 36% by using this strain. Subsequently, highly optically active (R)-glycidol (GLD) (99.3% ee) was prepared from the (R)-MCH obtained by reaction in alk. solution The cell-free extracts of the cells had both dehalogenating and epoxide-opening activities, which converted various halohydrins to the corresponding epoxides and epoxides to the corresponding diols, resp.

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

Product Details of 75732-01-3. 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 Facile assembly of a Cu9 amido complex: a new tripodal ligand design that promotes transition metal cluster formation. Author is Keen, Alana L.; Doster, Meghan; Han, Hua; Johnson, Samuel A..

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

Electric Literature of C3H7ClO2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: (2S)-(+)-3-Chloropropane-1,2-diol, is researched, Molecular C3H7ClO2, CAS is 60827-45-4, about Hydrolytic kinetic resolution of terminal epoxides catalyzed by fluorous chiral Co(salen) complexes. Author is Cavazzini, Marco; Quici, Silvio; Pozzi, Gianluca.

Cobalt complexes of fluorous chiral salen ligands have been synthesized and tested as catalysts in the hydrolytic kinetic resolution of terminal epoxides. Whereas the activity of heavily fluorinated complexes was found to be rather low, a light fluorous complex I was shown to be an efficient and highly selective catalyst for this asym. ring-opening reaction. Several strategies for the isolation of reaction products and the recovery of the fluorous catalyst are also discussed.

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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: (2S)-(+)-3-Chloropropane-1,2-diol, is researched, Molecular C3H7ClO2, CAS is 60827-45-4, about A formal synthesis of (+)-α-allokainic acid via sulfanyl radical addition-cyclization reaction.Synthetic Route of C3H7ClO2.

Sulfanyl radical addition-cyclization of diallylamine I in the presence of thiophenol and AIBN gave the 2,3,4-trisubstituted pyrrolidines II (R = PhSCH2, R1 = H; R = H, R1 = PhSCH2) which were effectively converted into the known key intermediate for the synthesis of (+)-α-allokainic acid via conversion of the phenylsulfanylmethyl group into the isopropenyl group at the 4-position.

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

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

Recommanded Product: (2S)-(+)-3-Chloropropane-1,2-diol. 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: (2S)-(+)-3-Chloropropane-1,2-diol, is researched, Molecular C3H7ClO2, CAS is 60827-45-4, about Generation of optically active 3-chloro-1,2-propanediol using microbial assimilation. Author is Suzuki, Toshio.

A review with 11 references on screening of stereoselectively 3-chloro-1,2-propanediol (I)-assimilating bacteria, purification of (R)-I-dehalogenating enzyme from the bacteria, mechanism of enzymic dehalogenation of (R)-I, and optical resolution of 1,2-diols and halohydrins with the dehalogenase.

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