On the design and application of iridium catalysts in hydrogen isotope exchange processes

The synthesis of isotopically-labelled molecules via iridium-catalysed hydrogen isotope exchange (HIE) has a sustained importance in the study of reaction mechanisms and metabolic processes. Over recent years, research at the University of Strathclyde has centred on the development of iridium-based HIE catalysts able to deliver the desired chemical tag under extremely mild and industrially applicable reaction conditions.[1–4] In a broader programme of work, we have combined experimental knowledge with computational modelling techniques in order to describe ligand properties of our iridium catalysts on a quantifiable and predictive footing. In this JLCR Award overview, we explain how novel catalyst mapping techniques have guided the development of mild and highly selective methods for labelling aldehydes, primary sulfonamides, and N-H-tetrazoles.