Alkylation of some substituted tetrazolo[1,5-a]pyridines studies by ~1H, ~(13)C, ~(15)N NMR and ab initio molecular orbital calculations

摘要

~1H, ~(13)C and ~(15)N NMR parameters and ab initio molecular orbital calculations were used to characterise some alkylated and arylated tetrazolo[1,5-a]pyridines. We have found that tetrazolo[1,5-a]pyridine (1) and its substituted derivatives undergo alkylation and this reaction results in mixtures of the N1- and N2-alkyl compounds (a, c and b, d) in different ratios, depending on the position and nature of substituents. NMR spectral parameters for N3-aryltetrazolo[1,5-a]pyridine (e) obtained by cyclization of 2-pyridyl-aryltriazenes are also presented.