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Unexpected triaxial preferences in some all-syn 1,3,5-trifluorocyclohexanes

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Author(s):
Yu, Cihang ; Piscelli, Bruno A. ; Al Maharik, Nawaf ; Cordes, David B. ; Slawin, Alexandra M. Z. ; Cormanich, Rodrigo A. ; O'Hagan, David
Total Authors: 7
Document type: Journal article
Source: CHEMICAL COMMUNICATIONS; v. 58, n. 92, p. 4-pg., 2022-10-25.
Abstract

Theory and solution NMR indicate that all-syn 1,3,5-trifluorocyclohexane 5 adopts the expected tri-equatorial conformation, however in the solid state the more polar triaxial conformation is observed. This and the favoured conformations of substituted (Me, OMe, NH(CO)Me, NHBoc) derivatives of 5 are investigated to explore triaxial C-F preferences. (AU)

FAPESP's process: 18/03910-1 - Physicochemical studies of fluorinated organic compounds: experimental and theoretical approaches
Grantee:Rodrigo Antonio Cormanich
Support Opportunities: Research Grants - Young Investigators Grants
FAPESP's process: 21/09716-5 - Synthesis, physicochemical properties and crystal structure simulations of organofluorine compounds
Grantee:Bruno de Almeida Piscelli
Support Opportunities: Scholarships in Brazil - Doctorate (Direct)