TY - JOUR
T1 - Finding Furfural Hydrogenation Catalysts via Predictive Modelling
AU - Strassberger, Z.
AU - Mooijman, M.
AU - Ruijter, E.
AU - Alberts, A.H.
AU - Maldonado, A.G.
AU - Orru, R.V.A.
AU - Rothenberg, G.
PY - 2010
Y1 - 2010
N2 - 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
AB - 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
UR - https://www.scopus.com/pages/publications/77956899431
UR - https://www.scopus.com/inward/citedby.url?scp=77956899431&partnerID=8YFLogxK
U2 - 10.1002/adsc.201000308
DO - 10.1002/adsc.201000308
M3 - Article
SN - 1615-4150
VL - 352
SP - 2201
EP - 2210
JO - Advanced Synthesis and Catalysis
JF - Advanced Synthesis and Catalysis
IS - 13
ER -
