Modeling of the mechanism of reductive allylation of norbornadiene in the presence of Pd0 complexes

Objectives. Catalytic processes involving norbornadiene (NBD) and norbornene (NBN) derivatives provide exceptional opportunities for the synthesis of a wide range of carbocyclic hydrocarbons. By significantly expanding this range, it becomes possible to obtain materials offering a wide variety of predictable properties. The aim of the present review is to summarize the latest achievements in the creation of novel processes catalyzed by palladium compounds. Considerable attention is paid to the study of the mechanisms of NBD allylation reactions by a combination of experimental and theoretical methods.Results. Various strategies of the molecular design of palladium catalysts for syntheses based on NBN and NBD are considered. The possibility of implementing various directions of NBD allylation is demonstrated. Factors influencing the direction of the reactions, by which means individual products can be selectively obtained, are discussed.Conclusions. The effective development of new catalytic processes involving NBD and NBN derivatives requires the complex application of synthetic, kinetic, isotopic, and quantum chemical approaches. By combining instrumental and theoretical methods with constant feedback, it becomes possible to optimize the search for original catalytic systems, obtain information about the mechanisms of their action, and influence technological parameters in a targeted manner.

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Modeling of the mechanism of reductive allylation of norbornadiene in the presence of Pd0 complexes

Cited by 3 publications

References 17 publications

Allylation of norbornadiene in the presence of Pd0 phosphine complexes: a DFT modeling

Allylation of norbornadiene in the presence of Pd0 phosphine complexes: a DFT modeling

Enantioselectivity of norbornadiene allylation in the presence of Pd phosphine complexes: a quantum chemical prediction

Palladium-catalyzed allylation of norbornadiene: Experimental and quantum chemical research

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