An investigation of the reactions of substituted homoallylic alcohols with various oxidation reagents

Substituted homoallylic alcohols have been synthesised both by [2,3]-Wittig rearrangement of unsymmetrical bis-allylic ethers and reaction of alkenyl chloromethyl oxiranes with Mg/THF. These substrates were then oxidized using four different oxidants. When the substituted homoallylic alcohols were oxidized with pyridinium chlorochromate or zinc chlorochromate nonahydrate the corresponding carbonyl compounds were produced. The same substrates formed the corresponding allylic oxidation products together with epoxidation products when oxidized with t-BuOOH. When and t-BuOOH and catalytic amounts of OSO4 were used the allylic oxidation reaction was prevented and the only products formed were those in which the substituted double bond was epoxidized

(E)-5-Phenyl-N-(2-thienylmethyl­ene)-1,3,4-thia­diazole-2-amine

In the title compound, C13H9N3S2, the thio­phene and phenyl rings are oriented at dihedral angles of 8.00 (7) and 6.31 (7)°, respectively, with respect to the central thia­diazole ring. No significant C—H⋯S and π–π inter­actions exist in the crystal structure

Synthesis of novel aza-heterocyclic derivatives from diester and diacid chlorides having the dibenzobarrelene skeleton

<p>When attempting to synthesize the symmetric aza-heterocyclic-substituted dibenzobarrelene derivatives from the 2-aminobenzimidazole (or 2-aminoimidazoline) with diacid chlorides and diester in the presence of various organic bases, different products were isolated in high yield. NMR spectroscopic analysis proved these products to be dibenzobarrelene-substituted fused benzimidazodiazepine, imidazolinediazepine, and dicarboxamides derivatives. Cyclic or noncyclic dicarboxamides with the dibenzobarrelene skeleton have been synthesized for the first time using these methods.</p

Synthesis, DFT Study, Molecular Docking and Drug- Likeness Analysis of the New Hydrazine-1-Carbothioamide, Triazole and Thiadiazole Derivatives: Potential Inhibitors of HSP90

In this research, the new hydrazine-1-carbothioamides (IC32and IC34) having unsubstituted benzimidazole skeleton wereconverted to 1, 2, 4-triazole derivatives (IC42 and IC44) by Ncyclizationreaction using the microwave-assisted synthesismethod in the basic medium with high efficiency in a shorttime. 2-Amino-1,3,4-thiadiazole derivatives (IC52 and IC54)were obtained from the carbothioamides in the acidic mediumby S-cyclization using the conventional method. The structureof all compounds was confirmed by FT-IR, 1HNMR, and 13CNMRspectroscopic techniques. The optimized structures, theoreticalNMR shielding values in DMSO-d6 solvent, the frontier molecularorbital, molecular electrostatic potential, and non-linearoptical properties of these molecules were calculated in theGaussian 09 W package program by using DFT method/B3LYPfunction and 6-311+ +G (d, p) basis set. All calculations exceptNMR calculations were performed in the gas phase and theobtained results were interpreted within the related sections.The discovery of new drugs is of great importance in combatinghealth problems and improving the quality of human life.In the light of this information, molecular docking withAutodock Vina and physicochemical calculations with theSwissADME server were performed at the end of the article.Therefore, the inhibiting potential of the ligands containingdifferent groups in their structure was investigated for the firsttime in this study.</p