Theoretical study of diels-alder reactions between substituted derivatives of butadiene and ethylene

A. Oliva, J. I. Fernández-Alonso, J. Bertrán

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    22 Citations (Scopus)

    Abstract

    The potential surfaces for the butadiene + ethylene and l-hydroxybutadiene+acrolein reactions, have been calculated (MINDO/2). A simplified study of the potential surface for several reactions between monosubstituted derivatives of butadiene and ethylene has also been done (MINDO/3). From the results obtained, the endo-exo ratio, the regioselectivity, the influence of substituents on the reaction rate and the mechanism of the process are discussed. © 1978.
    Original languageEnglish
    Pages (from-to)2029-2033
    JournalTetrahedron
    Volume34
    Issue number13
    DOIs
    Publication statusPublished - 1 Jan 1978

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