Beilstein J. Org. Chem.2017,13, 2396–2407, doi:10.3762/bjoc.13.237
theory (DFT) for energetic and molecular orbital (MO) calculations.
Keywords: 5-aminotetrazol; azide–tetrazole equilibrium; 2-azidopyrimidine; β-enaminones; tetrazolo[1,5-a]pyrimidine; trifluoromethylatedtetrazolo[1,5-a]pyrimidines; Introduction
Tetrazolo[1,5-a]pyrimidines have attracted attention in
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Graphical Abstract
Figure 1:
Hydrogen coupling constants (3JH-H) of (a) H6–H7 for 3a and (b) H5–H6 for 5h.