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B(3,4,5-F 3 H 2 C 6 ) 3 Lewis acid-catalysed C3-allylation of indoles.

Nusaybah AlotaibiRasool BabaahmadiMilan PramanikTanja KaehlerAyan DasguptaEmma RichardsAlireza AriafardThomas WirthRebecca L Melen
Published in: Dalton transactions (Cambridge, England : 2003) (2023)
Herein we report the B(3,4,5-F 3 H 2 C 6 ) 3 -catalysed C3-allylation of indoles using allylic esters. 25 examples of C3-allylated products are presented in up to 97% yield. The mechanism for the reaction was explored using detailed Density Functional Theory (DFT) studies.
Keyphrases
  • density functional theory
  • molecular dynamics
  • case control
  • molecular dynamics simulations
  • crystal structure