Synthesis and charge density determination of 4,4-difluoro-3,5-diphenyl-4H-pyrazole and a hydrate derivative
| Autor: | Allyson L. Knapp, Holly R. Duplain, Chad E. Stephens, John Bacsa, Cheryl K. Eidell, LeAnn Walton |
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| Rok vydání: | 2015 |
| Předmět: |
Chemistry
Organic Chemistry Charge density Crystal structure Pyrazole Biochemistry Medicinal chemistry Inorganic Chemistry chemistry.chemical_compound Reagent X-ray crystallography Environmental Chemistry Organic chemistry Physical and Theoretical Chemistry Hydrate Selectfluor Derivative (chemistry) |
| Zdroj: | Journal of Fluorine Chemistry. 173:12-17 |
| ISSN: | 0022-1139 |
| DOI: | 10.1016/j.jfluchem.2015.01.003 |
| Popis: | We describe the synthesis of the title gem-difluoropyrazole and hydrate derivative by reaction of 3,5-diphenylpyrazole with the N F reagent Selectfluor. In addition to spectral characterization of the two products, X-ray crystal structures were determined and an analysis of the charge densities of each compound was carried out. It is proposed that a weakened N N bond in the parent pyrazole, perhaps a result of the gem-difluoro substitution, promotes formation of the hydrate. The title gem-difluoropyrazole is a potential precursor to gem-difluorinated cyclopropanes. |
| Databáze: | OpenAIRE |
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