Theoretical interpretations of some experimental observations in reactions of triazolopyridines and their quaternary salts

Gurnos Jones, Christine M. Richardson, Paul C. Yates, György Hajós, Geza Timari

Research output: Contribution to journalArticle

16 Citations (Scopus)


The site of alkylation of triazolopyridines (1 a), (5), and (6) has been interpreted using semi-empirical and ab initio molecular orbital calculations. Attack by hydride on the methyl triazolopyridinium salt (3a) has been shown to give the triazolylbutadiene (4a), while the isomeric salt (2a) is unaffected by nucleophiles. These observations are interpreted by consideration of the mechanisms of reaction, and calculation of appropriate energy levels.

Original languageEnglish
Pages (from-to)4307-4314
Number of pages8
Issue number20
Publication statusPublished - 1993


ASJC Scopus subject areas

  • Biochemistry
  • Drug Discovery
  • Organic Chemistry

Cite this