Reactivity and structure of derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone)

dc.creator	Lamoureux Lamontagne, Guy
dc.creator	Pérez Sánchez, Alice Lorena
dc.creator	Araya Marchena, Mario Esteban
dc.creator	Agüero Robles, Christian Gerardo
dc.date.accessioned	2016-09-05T16:07:48Z
dc.date.available	2016-09-05T16:07:48Z
dc.date.issued	2007-11
dc.identifier.citation	http://onlinelibrary.wiley.com/doi/10.1002/poc.1435/abstract
dc.identifier.issn	1099-1395
dc.identifier.uri	https://hdl.handle.net/10669/28885
dc.description.abstract	The structures of two derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone) are examined using the density functional theory (DFT) hybrid functional B3LYP. Using the optimized structure of lawsone acetate, the reactivity of acyl transfer is described. Also, the nucleophilicity of the conjugate base of lawsone is predicted using the conceptual descriptors related to softness within the DFT framework	es_ES
dc.language.iso	en_US	es_ES
dc.source	Journal of Physical Organic Chemistry, Noviembre 2007, Volumen 21, número 12	es_ES
dc.subject	Naphthoquinone	es_ES
dc.subject	Active ester	es_ES
dc.subject	Enolate alkylation	es_ES
dc.title	Reactivity and structure of derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone)	es_ES
dc.type	artículo original
dc.identifier.doi	10.1002/poc.1435	es_ES
dc.description.procedence	UCR::Vicerrectoría de Investigación::Unidades de Investigación::Ciencias Básicas::Centro de Investigaciones en Productos Naturales (CIPRONA)	es_ES