6533b828fe1ef96bd128781c
RESEARCH PRODUCT
A theoretical study of the selectivity for the domino [5+2]/[4+2] cycloadditions of γ-pyrones bearing tethered alkenes with substituted 1,3-butadienes
Ramón J. ZaragozáLuis R. Domingosubject
chemistry.chemical_classificationBearing (mechanical)AlkeneOrganic ChemistryBiochemistryMedicinal chemistryDominoCycloadditionlaw.inventionchemistrylawDrug DiscoveryChemoselectivitySelectivitydescription
Abstract Selectivity of the domino [5+2]/[4+2] cycloaddition reactions of a β-silyloxy-γ-pyrone bearing a tethered alkene with two substituted 1,3-butadienes have been theoretically studied at the B3LYP/6-31G∗//AM1 and B3LYP/6-31G∗ computational levels. Analysis of these results allow explaining the regio, stereo and chemoselectivity observed experimentally at these domino reactions. Selectivity outcome is reproduced by these calculations.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2001-06-01 | Tetrahedron |