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Synthesis of tetrazole fused azepanes and quantum chemical topology study on the mechanism of the intramolecular cycloaddition reaction†
M. S. Pino-Gonzalez,A. Romero-Carrasco,S. Calvo-Losada,N. Oña-Bernal,J. J. Quirante,F. Sarabia
RSC Advances Pub Date : 10/27/2017 00:00:00 , DOI:10.1039/C7RA10899K
Abstract

The synthesis of novel tetrazolo azepanes from azido nitriles by 1,3 intramolecular dipolar cycloaddition starting from monosaccharide derivatives is described. A quantum chemical topological study on the intramolecular cyclization process has been conducted rendering a pseudo-concerted mechanism. Conformational study was done for the final products which showed a preferential twist boat conformation, theoretically suitable for mannosidase inhibition. However, the tetrazoles showed no significant inhibition of glycosidases.

Graphical abstract: Synthesis of tetrazole fused azepanes and quantum chemical topology study on the mechanism of the intramolecular cycloaddition reaction
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