Koley, Debasis published the artcileIsomerization of Functionalized Olefins by Using the Dinuclear Catalyst [PdI(μ-Br)(PtBu3)]2: A Mechanistic Study, COA of Formula: C10H10O2, the main research area is olefin isomerization dinuclear palladium catalyst; palladium catalyzed isomerization mechanistic study; density-functional theory; isomerization; palladium; reaction mechanisms; stereoselectivity.
In a combined exptl. and computational study, the isomerization activity of the dinuclear palladium(I) complex [PdI(μ-Br)(PtBu3)]2 towards allyl arenes, esters, amides, ethers, and alcs. has been investigated. The calculated energy profiles for catalyst activation for two alternative dinuclear and mononuclear catalytic cycles, and for catalyst deactivation are in good agreement with the exptl. results. Comparison of exptl. observed E/Z ratios at incomplete conversion with calculated kinetic selectivities revealed that a substantial amount of product must form via the dinuclear pathway, in which the isomerization is promoted cooperatively by two palladium centers. The dissociation barrier towards mononuclear Pd species is relatively high, and once the catalyst enters the energetically more favorable mononuclear pathway, only a low barrier has to be overcome towards irreversible deactivation.
Chemistry – A European Journal published new progress about Diastereoselective synthesis. 583-04-0 belongs to class esters-buliding-blocks, name is Allyl benzoate, and the molecular formula is C10H10O2, COA of Formula: C10H10O2.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics