Synthesis, Crystallographic and Theoretical Investigation of 7-benzyl-3H-[1,2,4]triazolo[3,1-i]purine

Asieh Yahyazadeh, Leila Daneshmandi

Abstract


The title compound has been prepared in high yield from 9-benzyl-purine derivative  by reaction with diethoxymethyl acetate (DEMA). The structure of the tricyclic compound, 7-(2-chlorobenzyl-3H-[1,2,4]triazolo[3,1-i]purine 2, was confirmed by X-ray analysis.  Semiempirical calculations for predicting geometrical parameters are in excellent agreement with the X-ray crystal structure.


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DOI: http://dx.doi.org/10.17628/ecb.2013.2.722-725

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