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Influence of Non-Covalent Interactions in the Exo- and Regioselectivity of Aza-Diels-Alder Reactions: Experimental and DFT calculations.

08:00 EDT 14th August 2019 | BioPortfolio

Summary of "Influence of Non-Covalent Interactions in the Exo- and Regioselectivity of Aza-Diels-Alder Reactions: Experimental and DFT calculations."

A systematic experimental and theoretical study of the intermolecular Aza-Diels-Alder reaction using 5-aminopyrrole as building block, shows that the commonly accepted endo selectivity, ruled by controversial secondary orbital interactions are overcome by non-covalent interactions affording to the unusual exo adduct. Additionally, the regioselectivity is also influenced for such interactions. Starting materials are easily to be prepared and the use of water as solvent is a great achievement for the development of cleaner synthetic methodologies.

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This article was published in the following journal.

Name: The Journal of organic chemistry
ISSN: 1520-6904
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