Catalytic borylation of methane.

Title	Catalytic borylation of methane.
Authors	Kyle T. Smith, Simon Berritt, Mariano González-Moreiras, Seihwan Ahn, Milton R. Smith III, Mu-Hyun Baik, Daniel J. Mindiola
Magazine	Science (New York, N.Y.)
Date	09/22/2017
DOI	10.1126/science.aad9730
Introduction	While significant advancements have occurred in catalytic approaches for hydrocarbon borylation, methane has remained challenging for this chemical modification. This work details an iridium-catalysed borylation of methane, employing bis(pinacolborane) in a cyclohexane medium. Initial experiments showed minimal borylated product formation with phenanthroline-coordinated iridium complexes. Through a systematic integration of experimental high-pressure and high-throughput screening with computational mechanistic elucidation, the underlying principles of the catalytic process were clarified, enabling the development of phosphine-coordinated catalytic complexes. Optimal reaction parameters, including a temperature of 150°C and a pressure of 3500 kilopascals, resulted in product yields reaching 52%, with turnover numbers of 100, and enhanced chemoselectivity for monoborylated products over diborylated methane.
Quote	Kyle T Smith, Simon Berritt and Mariano González-Moreiras et al. Catalytic borylation of methane. 2016. DOI: 10.1126/science.aad9730
Element	Boron (B) , Carbon (C) , Hydrogen (H) , Iridium (Ir) , Phosphorus (P)
Materials	Chemical Compounds
Industry	Chemical Manufacturing , Research & Laboratory

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