On the reduction of 4-oxo-4h-benzopyran-3-carbaldehydes : global and local electrophilicity patterns

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dc.contributor.authorAraya Maturana, Ramiro
dc.contributor.authorHeredia Moya, Jorge
dc.contributor.authorEscobar, Carlos A.
dc.contributor.authorPérez, Patricia
dc.date.accessioned2013-12-18T13:33:24Z
dc.date.accessioned2016-05-24T20:26:55Z
dc.date.available2013-12-18T13:33:24Z
dc.date.available2016-05-24T20:26:55Z
dc.date.issued2004
dc.description.abstractThe theoretical global and local electrophilicity patterns of substituted and chelated 4-oxo-4H-benzopyran-3-carbaldehydes (formylchromones) have been evaluated using the electrophilicity index proposed by Parr et al [J. Am. Chem. Soc. 1999, 121, 1922]. The complexation of formylchromones with aluminum predicts a strong electrophilic character of these compounds against nucleophiles. Local response at the active sites may also be assessed in terms of a global contribution described by the global electrophilicity, and a local contribution described by the variations in electrophilic Fukui function at those sites. The highest local electrophilicity is found at the formyl group of the chelated formylchromones, in spite of that, the highest positive charge is located on the pyrone carbonyl group. This result is consistent with the experimental observed reactivity displayed by 4-oxo-4H-benzopyran-3-carbaldehydes in the presence of 2-propanol and alumina.es
dc.identifier.citationJournal of the Chilean Chemical Society, vol. 49, n°1, 2004.es
dc.identifier.issn0717-9707
dc.identifier.otherDOI: 10.4067/S0717-97072004000100007
dc.identifier.urihttp://repositorio.unab.cl/xmlui/handle/ria/2250
dc.language.isoenes
dc.publisherSociedad Chilena de Químicaes
dc.subjectBenzopyranes
dc.subjectCarbaldehydeses
dc.subjectElectrophilicityes
dc.titleOn the reduction of 4-oxo-4h-benzopyran-3-carbaldehydes : global and local electrophilicity patternses
dc.typeArtículoes
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