Water-favored reaction mechanism for selective catalytic conversion of 2-methylfuran to 1,4-pentanediol

Water, as a cheap and easily available green solvent, is one of the most promising media in biomass conversion. Here, the water-favored one-pot conversion of 2-methylfuran (2-MF) to 1,4-pentanediol (1,4-PeD) under mild conditions was reported over a bimetallic PtNi catalyst supported on multi-walled carbon nanotubes (MWNT). In conjunction with theoretical calculations, we reveal that water significantly promote the furan ring ring-opening and the 1,4-PeD production. The Pt5Ni/MWNT catalyst affords a markedly improved catalytic activity (TOF of producing 93 1,4-PeD per site per hour) and yield (∼69%) to 1,4-PeD in the water-involved solvents compared to the water-free solvents. H₂¹⁸O isotopic tracing experiments and kinetic studies directly validate water participated in the selective hydrogenation with hydrolysis process by providing a source of hydroxyl groups and lower the activation energy barrier. Such fundamental understanding of the intrinsic role of water as solvent opens a green and efficient door to promote the selective transformation of furanic platform compounds into valuable chemicals.