Month: April 2022

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Carbon-13, nitrogen-15m, and oxygen-17 NMR chemical shifts of substituted 1-phenyl-2-pyrrolidinones, the main research direction is NMR phenylpyrrolidinone derivative.Name: 1-(4-Chlorophenyl)pyrrolidin-2-one.

The C-13 and N-15 NMR chem. shifts and the direct C-proton coupling constants of 1-phenyl-2-pyrrolidinone and its 2′-Me,3′-Me,4′-Me,2′-chloro,3′-chloro,4′-chloro,3′-methoxy,4′-methoxy and 4′-nitro derivatives were measured in di-Me sulfoxidde. The O-17 NMR chem. shifts of some of the compounds were determined in acetone. The effect of substituents on the chem. shifts of carbonyl carbons correlates well with the Hammett substituent parameters and the N chem. shifts seem to follow a similar trend. The variation of the O chem. shift due to the substituents is small. The chem. shifts of aromatic carbons can mainly be derived using the substituent parameters of benzene, some deviation probably due to steric effects is observable, however.

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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.Crone, Marlene; Tuerk, Michael researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Recommanded Product: Dichloro(1,5-cyclooctadiene)platinum(II).They published the article 《Thermodynamics of adsorption of carbon dioxide on different metal oxides at temperatures from 313 to 353 K and pressures up to 25 MPa》 about this compound( cas:12080-32-9 ) in Journal of Supercritical Fluids. Keywords: carbon dioxide thermodn adsorption metal oxide temperature pressure. We’ll tell you more about this compound (cas:12080-32-9).

This paper presents adsorption isotherm data of CO2 on four different metal oxides. Absolute adsorption isotherms of CO2 at 313 K on WO3 and at T = 313 K, 333 K, 353 K on CeO2, TiO2 and Al2O3 and pressures up to p = 25 MPa were determined from CO2 excess adsorption isotherms. It was found at 313 K a maximum absolute loading of 0.3 mmol g-1 for WO3, of 1.7 mmol g-1 for CeO2, of 3.1 mmol g-1 for TiO2 and of 6.3 mmol g-1 for Al2O3. All adsorption isotherms were fitted to the Freundlich, Langmuir, Pade, Sips and Toth models and the Pade model present a better fitting than the other models. Based on these data, the Pade and the Langmuir model were used to determine the isosteric enthalpy of adsorption which was found to be dependent on the loading and the used model.

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Stipurin, Sergej; Wurl, Felix; Strassner, Thomas published the article 《C-C* Platinum(II) Complexes with PtXPX Metallacycle Forming (X = N and S) Auxiliary Ligands: Synthesis, Crystal Structures, and Properties》. Keywords: diazaphosphaplatinacycle four membered carbene complex preparation electrochem mol orbital; dithiaphosphaplatinacycle four membered carbene complex preparation electrochem mol orbital; crystal structure four membered diazaphosphaplatinacycle dithiaphosphaplatinacycle carbene complex; mol structure four membered diazaphosphaplatinacycle dithiaphosphaplatinacycle carbene complex.They researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Recommanded Product: Dichloro(1,5-cyclooctadiene)platinum(II). 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:12080-32-9) here.

The synthesis of cyclometalated NHC Pt(II) complexes with two types of P-containing ligands is reported. Different synthetic approaches were used for each compound class. Dithiophosphinate and iminophosphonamide ligands form four-membered PtXPX metallacycles with coordination by either S or N atoms (= X). The complexes are fully characterized, including two solid-state structures. Addnl., the photophys. and electrochem. properties were examined, and the results are rationalized by d. functional theory calculations

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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.Donnier-Marechal, Marion; Carato, Pascal; Larchanche, Paul-Emmanuel; Ravez, Severine; Boulahjar, Rajaa; Barczyk, Amelie; Oxombre, Benedicte; Vermersch, Patrick; Melnyk, Patricia researched the compound: 1-(4-Chlorophenyl)pyrrolidin-2-one( cas:7661-33-8 ).Synthetic Route of C10H10ClNO.They published the article 《Synthesis and pharmacological evaluation of benzamide derivatives as potent and selective sigma-1 protein ligands》 about this compound( cas:7661-33-8 ) in European Journal of Medicinal Chemistry. Keywords: aminoalkyl benzamide preparation sigma protein cytotoxicity human docking SAR; benzyl methyl propanamine preparation sigma protein safety human SAR; Benzamide; CNS; Sigma protein. We’ll tell you more about this compound (cas:7661-33-8).

A series of novel N-(aminoalkyl)benzamide derivatives such as I [m = 2, 3; R1 = Me; R2 = Bn, (CH2)2C6H4; R1R2 = (CH2)4, (CH2)2O(CH2)2, (CH2)2NMe(CH2)2, etc.; R3 = H, 4-n-Bu, 4-Cl, etc.] and N-benzyl-N-methyl-propan-1-amine derivatives II [X = CH2NH, SO2NH, NHC(O)] was designed, synthesized and pharmacol. evaluated. In vitro competition binding assays against sigma proteins (sigma-1 S1R and sigma-2 S2R) revealed that most of them conferred S2R/S1R selectivity toward without cytotoxic effects on SY5Y cells, especially with compounds I [m = 2, 3; R1 = Me; R2 = Bn]. Some selected compounds were also evaluated for their agonist and antagonist activities on a panel of 40 receptors and results showed the importance of the nature and the position with halogeno atom on the benzamide scaffold, the length chain and also the contribution of the hydrophobic part on the amine group. Among them, compounds I [m = 2, 3; R1 = Me; R2 = Bn; R3 = 4-Cl, 4-CN, 4-NO2] showed excellent affinity for S1R (Ki = 1.2-3.6 nM), selectivity for S2R (Ki up to 1400 nM) and high selectivity index (IC50(SY5Y)/Ki(S1R) ratio from 28/000 to 83/000). Furthermore, these compounds I and II presented an excellent safety profile over 40 other receptors.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Cyclic metal(oid) clusters control platinum-catalysed hydrosilylation reactions: from soluble to zeolite and MOF catalysts, the main research direction is platinum zeolite metal organic framework alkyne alkene alc hydrosilylation.Recommanded Product: Dichloro(1,5-cyclooctadiene)platinum(II).

The Pt-catalyzed addition of silanes to functional groups such as alkenes, alkynes, carbonyls and alcs., i.e. the hydrosilylation reaction, is a fundamental transformation in industrial and academic chem., often claimed as the most important application of Pt catalysts in solution However, the exact nature of the Pt active species and its mechanism of action is not well understood yet, particularly regarding regioselectivity. Here, exptl. and computational studies together with an ad hoc graphical method show that the hydroaddn. of alkynes proceeds through Pt-Si-H clusters of 3-5 atoms (metal(oid) association) in ppm amounts (ppm), which decrease the energy of the transition state and direct the regioselectivity of the reaction. Based on these findings, new extremely-active (ppm) microporous solid catalysts for the hydrosilylation of alkynes, alkenes and alcs. have been developed, paving the way for more environmentally-benign industrial applications.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Room Temperature Cu-Catalyzed N-Arylation of Oxazolidinones and Amides with (Hetero)Aryl Iodides, the main research direction is aryl oxazolidinone preparation arylamide copper catalyst; oxazolidinone amide heteroaryl iodide arylation.HPLC of Formula: 7661-33-8.

N,N′-Bis(pyridin-2-ylmethyl)oxalamide (BPMO) was found to be an apposite promoter for the Cu-catalyzed N-arylation of oxazolidinones and primary and secondary amides with (hetero)aryl iodides at room temperature Excellent chemoselectivity reached between aryl iodides and aryl bromides, and a wide range of functional groups tolerated the reaction conditions, which led to the formation of greatly diverse N-arylation products.

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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: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Photochemistry of 1,5-Cyclooctadiene Platinum Complexes for Photoassisted Chemical Vapor Deposition.Application of 12080-32-9.

Quantum yields for disappearance of (COD)PtMe2 (1a) and (COD)PtMeCl (1b) were determined at 334 nm in C6D6 solvent. Chain reactions initiated by formation of a Me radical were proposed to be the cause of quantum yields higher than unity (Φ = 5.52 ± 0.40 for 1a) when the reaction mixtures included C4F9I. The chain reactions were suppressed in the presence of the radical trap 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO), which resulted in measured disappearance quantum yields of Φ = 0.037 ± 0.003 for (COD)PtMe2 and Φ = 0.44 ± 0.02 for (COD)PtMeCl at 334 nm. Weak luminescence was observed for 1a and 1b, and it was determined that emissive decay is not competitive with Pt-CH3 bond homolysis. DFT studies enabled assignment of both SBLCT and MLCT transitions in the UV/vis spectra of 1a, while 1b only exhibits MLCT transitions. These effects can be attributed to the symmetry of the mol. and its electronic structure.

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Safety of Pyridine-3,5-dicarbonitrile. 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: Pyridine-3,5-dicarbonitrile, is researched, Molecular C7H3N3, CAS is 1195-58-0, about Dihydropyridines. XVII. π-Electronic structure and reactivity of alkyl 3,5-dicyanopyridines.

The π-electronic structure of alkyl 3,5-dicyanopyridines was studied by the Hueckel M.O. L.C.A.O. method. The heteroatom model was used in the calculations The exptl. course of nucleophilic reactions was in agreement with the calculated superdelocalizabilities. Some of the exptl. excitation energies depended linearly on the calculated transition energies. Correlation was found between the values of proton shifts in the N.M.R. spectra of dicyanopyridines and the corresponding electron densities.

If you want to learn more about this compound(Pyridine-3,5-dicarbonitrile)Safety of Pyridine-3,5-dicarbonitrile, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(1195-58-0).

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Volke, J.; Skala, V. published an article about the compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0,SMILESS:N#CC1=CC(C#N)=CN=C1 ).Category: alcohols-buliding-blocks. 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:1195-58-0) through the article.

Electrochem. reduction of mono- and dicyanopyridines at a Hg electrode proceded via intermediates containing a cyclic π-electron septet formed after uptake of the 1st electron; these intermediates underwent either protonation, dimerization, or further 1-electron reduction, depending on the position of the cyano group(s), the acidity of the medium, and the electrode potential. This mechanism was substantiated by LCAO-MO and SCF calculations; the exptl. half-wave potentials were correlated to the energy of the lowest free MO of the substrate.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Reaction of Grignard reagent with 3,5-dicyanopyridines》. Authors are Lukes, R.; Kuthan, J..The article about the compound:Pyridine-3,5-dicarbonitrilecas:1195-58-0,SMILESS:N#CC1=CC(C#N)=CN=C1).Application of 1195-58-0. Through the article, more information about this compound (cas:1195-58-0) is conveyed.

Et2O solutions of 3,5-dicyanopyridines reacted at 20-40° with MeMgI (Ia) or EtMgBr (Ib) in 4-6-fold excess to form NH.CR1:C(CN).CR2:C(CN).CHR3 or NH.CR1:C(CN).CHR2.C(CN):CR3. The following were prepared: R1 = R2 = R3 = H (I); R1 = R2 = H, R3 = Me (II); R1 = R3 = H, R2 = Et (III); R1 = Me, R2 = R3 = H (IV); R1 = R3 = Me, R3 = H (V); R1 = R3 = Me, R2 = H (VI); R1 = H, R2 = R3 = Me (VII); R1 = H, R2 = Me, R3 = Et (VIII); R1 = H, R2 = Et, R3 = Me (IX); R1 = R3 = Me, R2 = H (X); R1 = R2 = R3 = Me (XI); R1 = R2 = H, R3 = Me (XII); R1 = R3 = H, R2 = Et (XIII); R1 = R2 = Me, R3 = H (XIV); R1 = R2 = R3 = Me (XV). I with Ia gave 76% XII, I with Ib 65% XIII, II with Ia 66% VII, II with Ib 48% VIII, III with Ia 89% IX, IV with Ia about 43% X and XIV, V with Ia 82% XI, VI with Ia 35% XV.

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