Facile C−F Bond Activation Approach to FAMT‐Based Difluoromethyl‐BNCT Drug Candidates

Lithium 1,3‐bis(2,6‐diisopropylphenyl)‐1,3,2‐diazaborolidinyl‐2‐uide activates the C−F linkage of fluoroform (CF 3 H) to provide air‐stable difluoromethylborane compounds. Computational analysis of S N 2‐type transition state for the C−F bond activation of fluoroform with boryllithium clarifies the mechanism involving the lithium dimeric species in the pre‐reaction complex. FAMT (=3‐fluoro‐ l ‐α‐methyl‐tyrosine)‐based difluoromethyl‐BNCT (boron neutron capture therapy) drug candidates is thus produced by the present C−F bond activation.