Pyrazolo[1,5‐ a ]pyrimidines. A combined multinuclear magnetic resonance ( 1 H,  13 C,  15 N,  19 F) and DFT approach to their structural assignment | Zendy

Sanz Dionisia | Zendy; Claramunt Rosa M. | Zendy; Saini Anil | Zendy; Kumar Vinod | Zendy; Aggarwal Ranjana | Zendy; Singh Shiv P. | Zendy; Alkorta Ibon | Zendy; Elguero José | Zendy

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Pyrazolo[1,5‐ a ]pyrimidines. A combined multinuclear magnetic resonance ( 1 H, 13 C, 15 N, 19 F) and DFT approach to their structural assignment

Author(s) -

Sanz Dionisia,

Claramunt Rosa M.,

Saini Anil,

Kumar Vinod,

Aggarwal Ranjana,

Singh Shiv P.,

Alkorta Ibon,

Elguero José

Publication year - 2007

Publication title -

magnetic resonance in chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0749-1581

DOI - 10.1002/mrc.1992

Subject(s) - chemistry , nuclear magnetic resonance spectroscopy , resonance (particle physics) , trifluoromethyl , spectroscopy , crystallography , condensation , stereochemistry , organic chemistry , atomic physics , physics , alkyl , quantum mechanics , thermodynamics

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‐1 H ‐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.

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