Enabling nucleophilic substitution reactions of activated alkyl fluorides through hydrogen bonding

Org Lett. 2013 May 3;15(9):2210-3. doi: 10.1021/ol400765a. Epub 2013 Apr 24.

Abstract

It was discovered that the presence of water as a cosolvent enables the reaction of activated alkyl fluorides for bimolecular nucleophilic substitution reactions. DFT calculations show that activation proceeds through stabilization of the transition structure by a stronger F···H2O interaction and diminishing C-F bond elongation, and not simple transition state electrostatic stabilization. Overall, the findings put forward a distinct strategy for C-F bond activation through H-bonding.