Litcius/Paper detail

Late-Stage β-C(sp <sup>3</sup> )–H Deuteration of Carboxylic Acids

Alexander Uttry, Sourjya Mal, Manuel van Gemmeren

2021Journal of the American Chemical Society108 citationsDOI

Abstract

Carboxylic acids are highly abundant in bioactive molecules. In this study, we describe the late-stage β-C(sp3)–H deuteration of free carboxylic acids. On the basis of the finding that C–H activation with our catalysts is reversible, the de-deuteration process was first optimized. The resulting method uses ethylenediamine-based ligands and can be used to achieve the desired deuteration when using a deuterated solvent. The reported method allows for the functionalization of a wide range of free carboxylic acids with diverse substitution patterns, as well as the late-stage deuteration of bioactive molecules and related frameworks and enables the functionalization of nonactivated methylene β-C(sp3)–H bonds for the first time.

Topics & Concepts

ChemistryCarboxylic acidMedicinal chemistryStereochemistryOrganic chemistryChemical Reactions and IsotopesAsymmetric Hydrogenation and CatalysisRadiopharmaceutical Chemistry and Applications