Pyrazolo[1,5-a]pyrimidines. A combined multinuclear magnetic resonance (1H, 13C, 15N, 19F) and DFT approach to their structural assignment |
| |
| Authors: | Sanz Dionisia Claramunt Rosa M Saini Anil Kumar Vinod Aggarwal Ranjana Singh Shiv P Alkorta Ibon Elguero José |
| |
| Affiliation: | Departamento de Química Orgánica y Bio-Orgánica, Facultad de Ciencias, UNED, Senda del Rey 9, E-28040 Madrid, Spain. dsanz@ccia.uned.es |
| |
| Abstract: | ![]()
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 beta-dicarbonyl compounds bearing a trifluoromethyl group. They are 3-phenyl-5-(R)-7-trifluoromethylpyrazolo[1,5-a]pyrimidines. |
| |
| Keywords: | NMR 1H 13C 15N 19F pyrazolo[1,5‐a]pyrimidines regioisomerism GIAO DFT |
| 本文献已被 PubMed 等数据库收录！ |
|
