Finding Furfural Hydrogenation Catalysts via Predictive Modelling

Z. Strassberger, M. Mooijman, E. Ruijter, A.H. Alberts, A.G. Maldonado, R.V.A. Orru, G. Rothenberg

Research output: Contribution to JournalArticleAcademicpeer-review


We combine multicomponent reactions, catalytic performance studies and predictive modelling to find transfer hydrogenation catalysts. An initial set of 18 ruthenium-carbene complexes were synthesized and screened in the transfer hydrogenation of furfural to furfurol with isopropyl alcohol complexes gave varied yields, from 62% up to >99.9%, with no obvious structure/activity correlations. Control experiments proved that the carbene ligand remains coordinated to the ruthenium centre throughout the reaction. Deuterium-labelling studies showed a secondary isotope effect (k
Original languageEnglish
Pages (from-to)2201-2210
Number of pages10
JournalAdvanced Synthesis and Catalysis
Issue number13
Publication statusPublished - 2010


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