Q. Zhang, Caiwen Wan, Yu Ma
Aug 1, 2019
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Journal
Russian Journal of Organic Chemistry
Abstract
Abstract3-(Piperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole was synthesized through a four-step process including etherification, hydrazonation, cyclization, and reduction with an overall yield of 39%. The final product was characterized by 1H NMR and ESI-MS/MS. The molecular structures of benzyl (Z)-4-(2-(pyrrolidin-2-ylidene)hydrazine-1-carbonyl)piperidine-1-carboxylate and related compounds were analyzed using DFT calculations at the B3LYP/6-311+G(d,p) level of theory. The results indicated a higher stability of the hydrazone tautomers.