Tag: M.W=100-200

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 Toward New Solvents for EDLCs: From Computational Screening to Electrochemical Validation. Author is Schuetter, Christoph; Husch, Tamara; Korth, Martin; Balducci, Andrea.

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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Quality Control of 2-Methylglutaronitrile. 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 Synthesis and biological evaluation of aroylguanidines related to amiloride as inhibitors of the human platelet Na+/H+ exchanger.

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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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 Asymmetric synthesis of (S)-Metoprolol.COA of Formula: C3H7ClO2.

Enantioenriched (S)-3-chloro-1,2-propanediol and (R)-epichlorohydrin were obtained by a kinetic hydrolysis resolution of racemic epichlorohydrin using (S,S)-salen-cobalt acetate and the synthesis of the target compound [i.e., 99% optically pure (S)-Metoprolol] was achieved by a reaction of 4-(2-methoxyethyl)phenol with (2S)-3-chloro-1,2-propanediol and a subsequent amination with 2-propanamine. When (R)-epichlorohydrin was used as a chiral precursor, (S)-Metoprolol was also formed but less optically pure (>92%). The overall product yield 53.9% and the product thus [(-)-Metoprolol, (2S)-1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol] was confirmed by IR, 1H-NMR, 13C-NMR, MS. This method may be suitable for industrial process adaptation.

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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: 60827-45-4, is researched, SMILESS is OC[C@H](O)CCl, Molecular C3H7ClO2Journal, Article, Research Support, Non-U.S. Gov’t, Chemical Communications (Cambridge, United Kingdom) called p-Tolyl glycerol ether: is it possible to find more simple molecular organogelator with pronounced chirality driven properties?, Author is Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Akhatova, Flyura S.; Gubaidullin, Aidar T., the main research direction is tolyl glycerol ether mol organogelator chirality driven property.COA of Formula: C3H7ClO2.

P-Tolyl glycerol ether not belonging to any of the known gelator families forms stable transparent gels in hydrocarbon media showing very good quant. characteristics of gelling abilities, which are, in turn, strongly dependent on the chiral characteristics of the gelator. The crystal packing differences between the rac- and scal-substances could be the reason for such behavior.

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Recommanded Product: (2S)-(+)-3-Chloropropane-1,2-diol. 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 The antiglycolytic action of (S)-α-chlorohydrin on epididymal bovine spermatozoa in vitro. Author is Jones, A. R.; Du Toit, J. I..

(S)-α-Chlorohydrin  [60827-45-4] interferes with glycolysis in bovine spermatozoa, whereas the (R)-isomer is ineffective. The action of the (S)-isomer, which involves inhibition of the reaction catalyzed by glyceraldehyde-3-phosphate dehydrogenase  [9001-50-7], is not immediate but is evident only after a brief period of incubation with the spermatozoa. This inhibitory action is prevented when glycerol  [56-81-5] is present, suggesting that the mechanism of action of (S)-α-chlorohydrin requires its oxidation to (S)-3-chlorolactaldehyde  [86747-03-7], which is the active metabolite. Addition of (R,S)-3-chlorolactaldehyde  [84709-24-0] to bovine spermatozoa caused immediate inhibition of glycolysis. The action of (S)-α-chlorohydrin in bovine spermatozoa may be similar to that observed in the spermatozoa of other species in being a 2-stage process: 1st, its oxidation to (S)-3-chlorolactaldehyde, and then inhibition of the glycolytic enzyme by this metabolite.

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Product Details of 60827-45-4. 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 Microbial transformation of prochiral 1,3-dichloro-2-propanol into optically active 3-chloro-1,2-propanediol. Author is Nakamura, Tetsuji; Yu, Fujio; Mizunashi, Wataru; Watanabe, Ichiro.

Nine strains of bacteria isolated from soil were able convert 1,3-dichloro-2-propanol (DCP) to optically active 3-chloro-1,2-propanediol (MCP). The reaction was almost stoichiometric and the optical purity was ∼67-75% e.e. for (R)-isomer of MCP. Only one strain produced (S)-isomer of MCP with 38.8% e.e.

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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 Spontaneous resolution among chiral glycerol derivatives: crystallization features of ortho-alkoxysubstituted phenyl glycerol ethers, the main research direction is spontaneous resolution chiral crystallization Ph glycerol ethers alkoxysubstituted.Quality Control of (2S)-(+)-3-Chloropropane-1,2-diol.

Five chiral arylglycerol ethers 2-R-C6H4-O-CH2CH(OH)CH2OH (R = OMe, OEt, OPrn, OPri, OBut) have been prepared in racemic and enantiopure form. The m.ps. and enthalpies of fusion of every species were measured by differential scanning calorimetry. Binary phase diagrams were reconstructed for the whole family, the entropies of the mixing of the enantiomers in the liquid state, and Gibbs free energy of formation of the racemic compound, as well as Pettersson i-values were derived from the thermal data. The differences in the phase behavior of the investigated compounds were associated with the conformations of the alkoxy fragments.

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Application In Synthesis of (2S)-(+)-3-Chloropropane-1,2-diol. 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 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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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Mesitylcopper(I)( cas:75732-01-3 ) is researched.Synthetic Route of C9H11Cu.Zou, Wenxing; Zhu, Qihao; Fettinger, James C.; Power, Philip P. published the article 《Dimeric Copper and Lithium Thiolates: Comparison of Copper Thiolates with Their Lithium Congeners》 about this compound( cas:75732-01-3 ) in Inorganic Chemistry. Keywords: copper lithium thiolate dimeric complex preparation; crystal structure copper lithium thiolate dimeric complex. Let’s learn more about this compound (cas:75732-01-3).

The direct reactions of the large terphenyl thiols HSAriPr4 (AriPr4 = -C6H3-2,6-(C6H3-2,6-iPr2)2) and HSAriPr6 (AriPr6 = -C6H3-2,6-(C6H2-2,4,6-iPr3)2) with stoichiometric amounts of mesitylcopper(I) in THF at ca. 80°C afforded the first well-characterized dimeric copper thiolato species {CuSAriPr4}2 (1) and {CuSAriPr6}2 (2) with elimination of mesitylene. The complexes 1 and 2 were characterized by NMR and electronic spectroscopy as well as by X-ray crystallog. They have dimeric Cu2S2 core structures in which the two copper atoms are bridged by the sulfurs from the thiolato ligands and feature short Cu…Cu distances near 2.4 Å as well as a weak copper-flanking aryl ring interaction from a terphenyl substituent. The structures of the planar Cu2S2 cores bear a resemblance to the Cu-A site in nitrous oxide reductase in which two cysteines also bridge two copper atoms. The related dimeric Li2S2 structural motif was also observed in the lithium congeners {LiSAriPr4}2 (3) and {LiSAriPr6}2 (4) which were synthesized directly from the thiols and n-BuLi in hexanes. However, despite the very similar effective ionic radii of the Li+ (0.59 Å) and Cu+ (0.60 Å) ions, the Li…Li structures display very much longer (by more than ca. 0.5 Å) separations than the corresponding Cu…Cu distances in 1 and 2, which may be due to weaker dispersion interactions.

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Electric Literature of C9H11Cu. 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: Mesitylcopper(I), is researched, Molecular C9H11Cu, CAS is 75732-01-3, about In situ Catalytic Generation of Allylcopper Species for Asymmetric Allylation: Toward 1H-Isochromene Skeletons. Author is Kawai, Junya; Chikkade, Prasanna Kumara; Shimizu, Yohei; Kanai, Motomu.

Allylcopper species can be generated in situ via catalytic intramol. oxycupration of allenic alc. The allylcopper can react with various aldehydes and a ketone to give 1H-isochromene derivatives enantioselectively. The protocol is atom-economical, highly regioselective, stereoconvergent, and tolerant to free OH groups. Thus, e.g., enantio- and regioselective oxycupration/asym. addition cascade reaction of allenic alc. I with benzaldehyde in presence of mesitylcopper and chiral diphosphine ligand in HMPA/THF afforded isochromene II (98% yield, 92% ee).

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