Month: April 2022

COA of Formula: C9H11Cu. 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: Mesitylcopper(I), is researched, Molecular C9H11Cu, CAS is 75732-01-3, about Preparation and characterization of copper(I) amides. Author is Tsuda, Tetsuo; Watanabe, Katsuhiko; Miyata, Kazuyoshi; Yamamoto, Hirotsugu; Saegusa, Takeo.

Cu(I) amides, CuNRR’, were prepared by the reaction of mesitylcopper(I) with RR’NH and characterized by chem. and thermal analyses. CuNRR’ react with CO2 in C6H6 in presence of tert-BuNC to give RR’NCO2Cu.(tert-Bu-NC)n, which with MeI give RR’NCO2Me.

Here is just a brief introduction to this compound(75732-01-3)COA of Formula: C9H11Cu, more information about the compound(Mesitylcopper(I)) is in the article, you can click the link below.

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

Reference of Mesitylcopper(I). The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Mesitylcopper(I), is researched, Molecular C9H11Cu, CAS is 75732-01-3, about Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex. Author is Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brain C.; Walsh, Patrick J.; Schelter, Eric J..

The preparation of a novel H-bonding DBU-H+ BINOLate Rare Earth Metal complex [RE(S-binol)3·3DBU-H, where RE = La, Pr, and Eu; DBU = 1,8-Diazabicyclo(5.4.0)undec-7-ene] enabled the synthesis of the first copper-Rare Earth Metal BINOLate complex (CuDBU-REMB, Cu3RE(S-binol)3(DBU)3). CuDBU-REMB was compared to the analogous Li complex using x-ray crystallog. and Exchange NMR spectroscopy (EXSY). The results provide insight into the role of the secondary metal cation in the framework’s stabilization.

Here is just a brief introduction to this compound(75732-01-3)Reference of Mesitylcopper(I), more information about the compound(Mesitylcopper(I)) is in the article, you can click the link below.

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: (2S)-(+)-3-Chloropropane-1,2-diol, is researched, Molecular C3H7ClO2, CAS is 60827-45-4, about Activities of various 6-chloro-6-deoxysugars and (S)α-chlorohydrin in producing spermatocoeles in rats and paralysis in mice and in inhibiting glucose metabolism in bull spermatozoa in vitro, the main research direction is contraceptive male chlorodeoxy sugar; chlorohydrin male contraceptive; toxicity male contraceptive chlorodeoxysugar.Synthetic Route of C3H7ClO2.

6-chloro-6-deoxyglucose (I) [40656-44-8], 6-chloro-6-deoxymannose  [4990-81-2], 6-chloro-6-deoxyfructose  [66451-66-9], 6-chloro-6-deoxyglucitol  [76986-26-0], 6-chloro-6-deoxygalactose  [18465-32-2], and (S)α-chlorohydrin  [60827-45-4] all produced spermatoceles in the efferent ducts and epididymis of the rat and were neurotoxic in the mouse, but only α-chlorohydrin caused substantial inhibition of D-glucose  [50-99-7] metabolism in bull spermatozoa in vitro. The relative potencies of the compounds in producing spermatoceles reflected their activities as reversible antifertility agents in the rat but compared to the others 6-chloro-6-deoxymannose was considerably less neurotoxic to mice than might have been anticipated from its contraceptive dose. Thus, different metabolites may be responsible for causing the antifertility and the neurotoxic effects.

Here is just a brief introduction to this compound(60827-45-4)Synthetic Route of C3H7ClO2, more information about the compound((2S)-(+)-3-Chloropropane-1,2-diol) is in the article, you can click the link below.

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: 75732-01-3, is researched, SMILESS is [Cu]C1=C(C)C=C(C)C=C1C, Molecular C9H11CuJournal, Tetrahedron called A simplified catalytic system for direct catalytic asymmetric aldol reaction of thioamides; application to an enantioselective synthesis of atorvastatin, Author is Kawato, Yuji; Iwata, Mitsutaka; Yazaki, Ryo; Kumagai, Naoya; Shibasaki, Masakatsu, the main research direction is atorvastatin enantioselective synthesis; ketoester preparation amination cyclization; hydroxyalkyl thioamide preparation lithium reagent; thioamide aldehyde aldol reaction Cu catalyst.Reference of Mesitylcopper(I).

A new catalytic system was developed for the direct catalytic asym. aldol reaction of thioamides. The new lithium-free Cu catalyst (second-generation catalyst) exhibited enhanced catalytic efficiency over the previously developed catalyst comprising [Cu(CH3CN)4]PF6/Ph-BPE/LiOAr (first-generation catalyst), which required a tedious catalyst preparation process. In the reaction with the second-generation catalyst, the intermediate Cu-aldolate functioned as a Bronsted base to generate thioamide enolate, efficiently driving the catalytic cycle. The present aldol methodol. culminated in a concise asym. synthesis of atorvastatin I (Lipitor: atorvastatin calcium), a widely prescribed HMG-CoA reductase inhibitor for lowering low-d. lipoprotein cholesterol.

Here is just a brief introduction to this compound(75732-01-3)Reference of Mesitylcopper(I), more information about the compound(Mesitylcopper(I)) is in the article, you can click the link below.

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, Journal of Coordination Chemistry called Unusual structurally characterized pyridine carbinoxide copper(II) coordination compounds, isolated from organic solvents, Author is Boyle, Timothy J.; Ottley, Leighanna M.; Raymond, Rebecca, which mentions a compound: 75732-01-3, SMILESS is [Cu]C1=C(C)C=C(C)C=C1C, Molecular C9H11Cu, Computed Properties of C9H11Cu.

The coordination behavior of pyridine-2-methanol (H-OPy) with copper in organic solvents was crystallog. determined Initial attempts to generate the Cu(II) OPy derivatives from an alcoholysis exchange of Cu(OCH3)2, with H-OPy in toluene, gave [Cu(μc-OPy)(OcPy)]2 (1, c indicates chelation). The square-based pyramidal geometries noted for each Cu center resulted from one OcPy and two μc-OPy ligands, generating an unusual Ci symmetry. From the reaction of H-OPy and the Cu(I) species Cu(C6H2(CH3)3-2,4,6), mononuclear Cu(II) complex Cu(OcPy)2(H-OPy)2 (2) was isolated. Compound 2 is unusual in that it adopts a square planar arrangement around the Cu metal center using two OcPy ligands; however, the metal center also coordinates with two H-OPy mols. forming an octahedral geometry. Upon dissolution in water, both 1 and 2 react to form the previously reported Cu(OcPy)2·2H2O (3). Attempts to add a Lewis base through dissolution of 1 in selected solvents (i.e., THF, pyridine, 1-methylimidazole) led to [Cu(μc-OPy)(OcPy)]2·H2O (4), which possesses a C2 symmetry. The water was believed to be extracted from the dry solvents. A Cl derivative was also solved for the Cu(II)/Cu(I) species [Cu(OPy)2]2[CuCl(H-OPy)2]2 (5) from THF dried over apparently contaminated sieves. 1-5 Were characterized by x-ray crystallog.

Here is just a brief introduction to this compound(75732-01-3)Computed Properties of C9H11Cu, more information about the compound(Mesitylcopper(I)) is in the article, you can click the link below.

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

Computed Properties of C3H7ClO2. 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 Three different types of chirality-driven crystallization within the series of uniformly substituted phenyl glycerol ethers. Author is Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Novikova, Victorina G.; Pashagin, Alexander V.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T..

Seven chiral aryl glycerol ethers 2-R-C6H4-O-CH2CH(OH)CH2OH (R = H, Me, Et, Allyl, n-Pr, i-Pr, tert-Bu) were synthesized in racemic and scalemic form. The IR spectra, m.ps., and enthalpies of fusion for racemic and scalemic samples of every species were measured, the entropies of enantiomers mixing in the liquid state and Gibbs free energies of a racemic compound formation were derived and binary phase diagrams were reconstructed for the whole family. Solid racemic compounds stabilities were ranked for the four substances. Spontaneous resolution was established for the registered chiral drug mephenesin and its Et analog. Metastable anomalous conglomerate, forming crystals having three independent R* and one independent S* mols. in the unit cell, is formed during solution crystallization of tert-Bu derivative; metastable phase transforms slowly into traditional racemic conglomerate.

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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.Synthetic Route of C34H18F16IrN4P. The article 《Influence of the medium on hydrogenation of 2-methylglutaronitrile. Selective access to 2-methylpentane diamine or β-picoline after dehydrogenation》 in relation to this compound, is published in Chemical Industries (Dekker). Let’s take a look at the latest research on this compound (cas:4553-62-2).

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

Recommanded Product: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide. 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: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide, is researched, Molecular C10H8ClN4NaO2S, CAS is 23307-72-4, about Non-stochastic and stochastic linear indices of the molecular pseudograph’s atom-adjacency matrix: a novel approach for computational in silico screening and “”rational”” selection of new lead antibacterial agents.

A novel approach (TOMOCOMD-CARDD) to computer-aided rational drug design is illustrated. This approach is based on the calculation of the non-stochastic and stochastic linear indexes of the mol. pseudograph’s atom-adjacency matrix representing mol. structures. These TOMOCOMD-CARDD descriptors are introduced for the computational (virtual) screening and rational selection of new lead antibacterial agents using linear discrimination anal. The two structure-based antibacterial-activity classification models, including non-stochastic and stochastic indexes, classify correctly 91.61% and 90.75%, resp., of 1525 chems. in training sets. These models show high Matthews correlation coefficients (MCC = 0.84 and 0.82). An external validation process was carried out to assess the robustness and predictive power of the model obtained. These QSAR models permit the correct classification of 91.49% and 89.31% of 505 compounds in an external test set, yielding MCCs of 0.84 and 0.79, resp. The TOMOCOMD-CARDD approach compares satisfactorily with respect to nine of the most useful models for antimicrobial selection reported to date. Finally, an in silico screening of 87 new chems. reported in the antiinfective field with antibacterial activities is developed showing the ability of the TOMOCOMD-CARDD models to identify new lead antibacterial compounds

Here is just a brief introduction to this compound(23307-72-4)Recommanded Product: Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide, more information about the compound(Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide) is in the article, you can click the link below.

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

Category: iodides-buliding-blocks. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: (S)-4-((Benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, is researched, Molecular C18H24N2O6, CAS is 138775-03-8, about Synthesis of N,N’-Orthogonally Protected (S)-Piperazine-2-carboxylic Acid. Author is Warshawsky, Alan M.; Patel, Meena V.; Chen, Teng-Man.

(S)-1-tert-butoxycarbonyl-4-benzyloxycarbonyl-2-piperazinecarboxylic acid was prepared in 4 steps and 40% overall yield from N-tert-butoxycarbonyl-L-serine β-lactone. The sequence required only a single chromatog. purification and yielded optically pure product.

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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.Huang, Wen-Fei; Chang, Sun-Tang; Huang, Hsin-Chih; Wang, Chen-Hao; Chen, Li-Chyong; Chen, Kuei-Hsien; Lin, M. C. researched the compound: 5,10,15,20-Tetrakis (4-methoxyphenyl)-21H,23H-porphine cobalt (II)( cas:28903-71-1 ).Name: 5,10,15,20-Tetrakis (4-methoxyphenyl)-21H,23H-porphine cobalt (II).They published the article 《On the Reduction of O2 on Cathode Surfaces of Co-Corrin and Co-Porphyrin: A Computational and Experimental Study on Their Relative Efficiencies in H2O/H2O2 Formation》 about this compound( cas:28903-71-1 ) in Journal of Physical Chemistry C. Keywords: oxygen reduction reaction catalyst cobalt corrin cobalt posphyrin DFT. We’ll tell you more about this compound (cas:28903-71-1).

The mechanisms for O2 reduction and H2O/H2O2 formation on Co-corrin and Co-porphyrin cathode surfaces of the proton exchange membrane fuel cell (PEMFC) systems have been studied by hybrid Hartree-Fock/d. functional theory (B3LYP) calculations with the LANL2DZ basis set. The calculations show that the reduced Co-corrin with a single neg. charge (Co-corrin-) is more reactive than the neutral Co-corrin and the doubly charged Co-corrin2-. Both O2 and O adsorptions are most stable on Co-corrin-, rather than Co-corrin or Co-corrin2-. The potential energy profiles show that the decomposition of O2 on both Co-corrin and Co-corrin- can take place energetically favorably without thermal activation. The formation of H2O and H2O2 are predicted to occur by two sep. reaction paths: the HO path and the HOO path. The HO path with H2O as the predominant product on the reduced Co-corrin- surface, the energetically favored surface, under operational cathodic conditions, which is consistent with recent exptl. findings, wherein the PEMFCs with pyrolyzed vitamin B12 containing Co-corrin as catalysts loaded at the cathode, can deliver up to 14.5 A cm-3 at 0.8 V with IR compensation. A similar calculation performed for a Co-porphyrin system shows a significantly less efficient O2 reduction, consistent with the experiment results of the PEMFC power output studies.

Here is just a brief introduction to this compound(28903-71-1)Name: 5,10,15,20-Tetrakis (4-methoxyphenyl)-21H,23H-porphine cobalt (II), more information about the compound(5,10,15,20-Tetrakis (4-methoxyphenyl)-21H,23H-porphine cobalt (II)) is in the article, you can click the link below.

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