Publications by authors named "Igor Tarabara"
Combined experimental and theoretical studies have been carried out to investigate the transformations of the epoxyimides of norbornane into heterocyclic compounds. We established that interaction of the aryl-substituted epoxyimides of norbornane with sodium ethoxide results in the formation of new heterocyclic compounds in preparatively useful yields and with complete regioselectivity. The reactions of epoxyimides, containing aryl electron-donor substituents, result in the formation of endo-9-carbamoyl-exo-2-hydroxy-5-oxo-4-oxatricyclo[4.
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- Density functional theory was applied to study hydrazinolysis of 4-substituted 2,3-dihydro-1,5-benzodiazepine-2-thiones, specifically focusing on the 4-phenyl-2,3-dihydro-1,5-benzodiazepine-2-thione compound.
- Advanced computational methods (MP2/6-311+G(d,p)//B3LYP/6-311+G(d,p)) were employed for accurate energy predictions, including solvent effects via the PCM methodology.
- The study concluded that the mechanism involves a series of steps, with hydrazine addition to specific bonds, resulting in key transformations, and identified the cyclization step
Article Synopsis
- - The study uses density functional theory to analyze how the compound 4-methyl-2,3-dihydro-1,5-benzodiazepin-2-one reacts with hydrazine, focusing on the mechanism of hydrazinolysis for similar compounds.
- - Advanced computational methods were employed to improve energy predictions, taking solvent effects into account through the PCM methodology, ensuring more accurate results.
- - Results indicate a multi-step mechanism starting with the addition of hydrazine to the compound, leading to ring formation and ultimately producing 3-methylpyrazolone-5, which aligns with experimental findings and identifies the final reaction step as the rate-determining one.