Diels–Alder cycloaddition of 2-methylfuran and ethylene for renewable toluene

• Published in: Applied catalysis. B, Environmental Vol. 180; pp. 487 - 496
• Main Authors: Green, Sara K., Patet, Ryan E., Nikbin, Nima, Williams, C. Luke, Chang, Chun-Chih, Yu, Jingye, Gorte, Raymond J., Caratzoulas, Stavros, Fan, Wei, Vlachos, Dionisios G., Dauenhauer, Paul J.
• Format: Journal Article
• Language: English
• Published: United States Elsevier B.V 01.01.2016; Elsevier
• Subjects: Biomass; Catalysis; catalysis (homogeneous), catalysis (heterogeneous), biofuels (including algae and biomass), bio-inspired, hydrogen and fuel cells, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable processing); Catalysts; Cycloaddition; Diels–Alder; Ethylene; Formations; Furan; Pathways; Reaction kinetics; Toluene; Zeolite; Furan; Diels–Alder; Biomass; Zeolite; Toluene

[Display omitted] •Reaction via tandem reactions exhibits two distinct kinetic regimes.•Density of zeolites strongly control the selectivity to side products.•A model with DFT/ONIOM-derived parameters captures tandem catalytic kinetics.•Reduced symmetry of the oxanorbornene results in competing dehy...