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Metal-free catalytic hydrocarboxylation of hexafluorobut-2-yne.

Ji-Jun ZengBo ZhaoXiao-Bo TangSheng HanZhi-Qiang YangZe-Peng LiuWei ZhangJian Lu
Published in: RSC advances (2021)
An efficient method for stereoselective synthesis of trifluorinated enol esters catalyzed by base was introduced. The DFT calculations and experimental results both supported the nucleophilic addition process. The protocol featured mild reaction conditions and showed a wide functional group tolerance. The one-pot simultaneous etherification and esterification of the salicylic acids further demonstrated the prospective synthetic application.
Keyphrases
  • density functional theory
  • molecular dynamics
  • randomized controlled trial
  • room temperature
  • crystal structure
  • molecular dynamics simulations
  • molecular docking
  • monte carlo
  • electron transfer