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

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Abstract

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
JournalTetrahedron
Volume49
Issue number20
DOIs
Publication statusPublished - 1993

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ASJC Scopus subject areas

  • Biochemistry
  • Drug Discovery
  • Organic Chemistry

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