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C-F bond activation of perfluorinated arenes by a bioxazoline-derived N-heterocyclic carbene.

Jack Emerson-KingSimone A HauserAdrian B Chaplin
Published in: Organic & biomolecular chemistry (2018)
The N-heterocyclic carbene IBioxMe4 enacts selective single and double C-F bond activation of octafluorotoluene and hexafluorobenzene, respectively. The formation of the fluoroarene substituted, zwitterionic imidazoliumolate products is consistent with a mechanism involving nucleophilic aromatic substitution and subsequent oxazoline ring opening by liberated fluoride.
Keyphrases
  • molecular docking
  • molecular dynamics simulations