Deuteration of Aromatic Rings under Very Mild Conditions through Keto-Enamine Tautomeric Amplification

J Org Chem. 2015 May 15;80(10):5144-50. doi: 10.1021/acs.joc.5b00539. Epub 2015 Apr 23.

Abstract

We have discovered a surprising, mild method for deuteration of select aromatic compounds that is facilitated by a keto-enamine tautomeric intermediate. The mechanism of the reaction has been studied using kinetics experiments and detailed computational analysis. It was found that a chain of water molecules has a substantial role in lowering the activation barrier to the tautomerization-enhanced deuteration reaction. Our results demonstrate that tautomeric forms of aromatic molecules can be exploited to bring about enhanced reactivity.