Establishing the Trifluoromethylthio Radical Donating Abilities of Electrophilic SCF3-Transfer Reagents

J Org Chem. 2017 Aug 18;82(16):8697-8702. doi: 10.1021/acs.joc.7b01771. Epub 2017 Aug 3.

Abstract

The recent recognition of the novel application of a few traditional electrophilic trifluoromethylthiolating reagents as SCF3 radical sources offers a remarkable new opportunity for the development of radical trifluoromethylthiolation reactions. Herein, the first trifluoromethylthio radical donating ability (TtDA) scale of electrophilic SCF3-transfer reagents has been developed. This scale is based on Y-SCF3 bond dissociation energies, which were obtained by density functional calculations (M06-2X). Single electron transfer is revealed to exhibit a substantial Y-SCF3 bond-weakening effect, thus significantly facilitating the SCF3 radical (SCF3) release. The results may aid in future novel radical SCF3-transfer reagent design and new reaction development.

Publication types

  • Research Support, Non-U.S. Gov't