Author: Erdeljac, Nathalie; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G; Gilmour, Ryan
Title: Conformational Analysis of Acyclic α-Fluoro Sulfur Motifs. Cord-id: hdowluzt Document date: 2020_7_31
ID: hdowluzt
Snippet: Bioactive small molecules containing α-fluoro sulfur motifs [RS(O) n CH 2 F] are appearing with increasing frequency in the pharmaceutical and agrochemical sectors. Prominent examples include the anti-asthma drug Flovent ® and the phenylpyrazole insecticide pyrafluprole. Given the popularity of these structural units in bioactive small molecule design, together with the varying oxidation states of sulfur, a conformational analysis of α-fluoro sulfides, sulfoxides and sulfones, would be instru
Document: Bioactive small molecules containing α-fluoro sulfur motifs [RS(O) n CH 2 F] are appearing with increasing frequency in the pharmaceutical and agrochemical sectors. Prominent examples include the anti-asthma drug Flovent ® and the phenylpyrazole insecticide pyrafluprole. Given the popularity of these structural units in bioactive small molecule design, together with the varying oxidation states of sulfur, a conformational analysis of α-fluoro sulfides, sulfoxides and sulfones, would be instructive in order to delineate the non-covalent interactions that manifest themselves in structure. A combined crystallographic and computational analysis demonstrates the importance of hyperconjugative donor-acceptor interactions in achieving acyclic conformational control. The conformational disparity in the syn - and anti -diastereoisomers of α-fluorosulfoxides is particularly noteworthy.
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