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NHC-Catalyzed Electrophilic Trifluoromethylation: Efficient Synthesis of γ-Trifluoromethyl α,β-Unsaturated Esters.

Wen YangDengke MaYu ZhouXiu-Qin DongZhenyang LinJianwei Sun
Published in: Angewandte Chemie (International ed. in English) (2018)
Described herein is a highly regioselective and efficient N-heterocyclic-carbene-catalyzed γ-trifluoromethylation of vinylogous enolates. Control experiments and DFT calculations provided important insight into the reaction mechanism.
Keyphrases
  • density functional theory
  • room temperature
  • molecular dynamics
  • molecular dynamics simulations
  • molecular docking
  • electron transfer