A Molecular Electron Density Theory Study of the Competitiveness of Polar Diels–Alder and Polar Alder-ene Reactions

A Molecular Electron Density Theory Study of the Competitiveness of Polar Diels–Alder and Polar Alder-ene Reactions

The competitiveness of the BF3 Lewis acid (LA) catalyzed polar Diels–Alder (P-DA) and polar Alder-ene (P-AE) reactions of 2-methyl-1,3-butadiene, a diene possessing an allylic hydrogen, with formaldehyde has been studied within the Molecular Electron Density Theory (MEDT) at the MPWB1K/6-3...

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Bibliographic Details
Main Authors: Luis R. Domingo, Mar Ríos-Gutiérrez, Patricia Pérez
Format: Article
Language:English
Published: MDPI AG 2018-07-01
Series:Molecules
Subjects:
Molecular Electron Density Theory
Diels-Alder reactions
Alder-ene reactions
competitive reactions
polar reactions
Prins reaction
pseudocyclic selectivity
Online Access:http://www.mdpi.com/1420-3049/23/8/1913

Internet

http://www.mdpi.com/1420-3049/23/8/1913

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