Nickel Carbide Nanoparticle Catalyst for Selective Hydrogenation of Nitriles to Primary Amines

Despite its unique physicochemical properties, the catalytic application of nickel carbide (Ni3C) in organic synthesis is rare. In this study, we report well-defined nanocrystalline Ni3C (nano-Ni3C) as a highly active catalyst for the selective hydrogenation of nitriles to primary amines. The activity of the aluminum-oxide-supported nano-Ni3C (nano-Ni3C/Al2O3) catalyst surpasses that of Ni nanoparticles. Various aromatic and aliphatic nitriles and dinitriles were successfully converted to the corresponding primary amines under mild conditions (1 bar H2 pressure). Furthermore, the nano-Ni3C/Al2O3 catalyst was reusable and applicable to gram-scale experiments. Density functional theory calculations suggest the formation of polar hydrogen species on the nano-Ni3C surface, which were attributed to the high activity of nano-Ni3C towards nitrile hydrogenation. This study demonstrates the utility of metal carbides as a new class of catalysts for liquid-phase organic reactions. This study demonstrates selective hydrogenation of nitriles to produce primary amines using a well-defined nanocrystalline nickel carbide (nano-Ni3C) catalyst. The aluminum-oxide-supported nano-Ni3C (nano-Ni3C/Al2O3) showed high catalytic activity and broad substrate scope, with various (hetero)aromatic and aliphatic nitriles affording the corresponding primary amines, even under 1 bar of H2.image