130720-54-6Relevant academic research and scientific papers
1,2,3-Triazolium-1-oxide, -1-imide and 1-methanide Hetero-1,3,5-triene Equilibrium: Ab Initio Calculations. A New Base Induced Ring Expansion of 1-Alkyl-1,2,3-triazolium Salts to 2,3-Dihydro-1,2,4-triazines and 1-Amino-imidazoles via the 1,2,5-Triazahexa-1,3,5-triene System. Azolium 1,3-
Butler, Richard N.,Duffy, J. Paul,Cunningham, Desmond,McArdle, Patrick,Burke, Luke A.
, p. 147 - 152 (2007/10/02)
Treatment of substituted 1-methyl- and 1-trimethylsilylmethyl-1,2,3-triazolium salts with ethoxide and caesium fluoride respectively gave substituted 2,3-dihydro-1,2,4-triazines and 1-aminoimidazoles via 1,2,5-triazahexa-1,3,5-triene intermediates.Expected isomeric 1,2,3-triazolium-1-methanide 1,3-dipoles were not detected and ab initio calculations suggested that they are thermodynamically unfavoured.Ab initio calculations on the equilibrium between the acyclic hetero-1,3,5-triene system and the cyclic forms of 1,2,3-triazolium-1-oxide, -1-imide and -1-methanide are reported.X-ray crystal structures are described for 2,5,6-triphenyl-2,3-dihydro-1,2,4-triazine 6a and 1-(p-nitroanilino)-4,5-diphenylimidazole 11c.
