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

Nusaybah Alotaibi Rasool BabaahmadiMilan PramanikTanja KaehlerAyan DasguptaEmma Richards Alireza Ariafard Thomas Wirth Rebecca 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