Abstract
Pentadienyl cation electrocyclizations have played key roles in the syntheses of many complex organic molecules. Herein, theoretical studies on the mechanisms of pentadienyl cation electrocyclizations are reviewed and general principles applicable to the design of such reactions are highlighted.
Keywords: Pentadienyl, carbocation, electrocyclization, Nazarov, quantum chemistry, Cyclopentene rings, Post-Hartree-Fock, Density functional theory, Highest occupied molecular orbital (HOMO), Conrotation, Torquoselectivity, C2 rotation, Houk's torquoselectivity model, Lewis acid activation, Trauner's systems, Vinyl allenes, Hammond Postulate, The Bell-Evans-Polanyi Principle, Zwitterionic species, Piancatelli reaction, Substituents at C3, Brønsted acids, Metal Promoted Cyclizations
Call for Papers in Thematic Issues
Catalytic C-H bond activation as a tool for functionalization of heterocycles
The major topic is the functionalization of heterocycles through catalyzed C-H bond activation. The strategies based on C-H activation not only provide straightforward formation of C-C or C-X bonds but, more importantly, allow for the avoidance of pre-functionalization of one or two of the cross-coupling partners. The beneficial impact of ...read more
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