Pyrazolo1,5-apyrimidines. A combined multinuclear magnetic resonance (1H, 13C, 15N, 19F) and DFT approach to their structural assignment

摘要

Multinuclear magnetic resonance spectroscopy together with GIAO-DFT calculations allowed establishment of the structure of the products obtained by condensation of 3(5)-amino-4-phenyl-1H-pyrazole and β-dicarbonyl compounds bearing a trifluoromethyl group. They are 3-phenyl-5-(R)-7- trifluoromethylpyrazolo[1,5-a]pyrimidines. Copyright © 2007 John Wiley & Sons, Ltd.