title: Practically convenient and industrially-aligned methods for iridium-catalysed hydrogen isotope exchange processes.
abstract: The use of alternative solvents in the iridium-catalysed hydrogen isotope exchange reaction with developing phosphine/NHC Ir(I) complexes has identified reaction media which are more widely applicable and industrially acceptable than the commonly employed chlorinated solvent, dichloromethane. Deuterium incorporation into a variety of substrates has proceeded to deliver high levels of labelling (and regioselectivity) in the presence of low catalyst loadings and over short reaction times. The preparative outputs have been complemented by DFT studies to explore ligand orientation, as well as solvent and substrate binding energies within the catalyst system.
authors.affiliation: Department of Pure and Applied Chemistry, WestCHEM, University of Strathclyde, 295 Cathedral Street, Glasgow, G1 1XL, UK. w.kerr@strath.ac.uk.
authors.forename: A R
authors.initials: AR
authors.lastname: Cochrane
authors.forename: C
authors.initials: C
authors.lastname: Idziak
authors.forename: W J
authors.initials: WJ
authors.lastname: Kerr
authors.forename: B
authors.initials: B
authors.lastname: Mondal
authors.forename: L C
authors.initials: LC
authors.lastname: Paterson
authors.forename: T
authors.initials: T
authors.lastname: Tuttle
authors.forename: S
authors.initials: S
authors.lastname: Andersson
authors.forename: G N
authors.initials: GN
authors.lastname: Nilsson
mesh_terms: D000813:Anilides / Q000737:chemistry; D002384:Catalysis; D002625:Chemistry, Organic / Q000379:methods*; D041961:Deuterium Exchange Measurement / Q000379:methods*; D006859:Hydrogen / Q000737:chemistry*; D007495:Iridium / Q000737:chemistry*; D008968:Molecular Conformation; D009534:Niclosamide / Q000737:chemistry; D012997:Solvents / Q000737:chemistry
chemical_list: D000813:Anilides; D012997:Solvents; D007495:Iridium; D006859:Hydrogen; D009534:Niclosamide; C034595:benzanilide