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

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Bibliographic Details
Authors:	Lamoureux Lamontagne, Guy, Pérez Sánchez, Alice Lorena, Araya Marchena, Mario Esteban, Agüero Robles, Christian Gerardo
Format:	artículo original
Publication Date:	2007
Description:	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
Country:	Kérwá
Institution:	Universidad de Costa Rica
Repositorio:	Kérwá
OAI Identifier:	oai:kerwa.ucr.ac.cr:10669/28885
Online Access:	http://onlinelibrary.wiley.com/doi/10.1002/poc.1435/abstract https://hdl.handle.net/10669/28885
Keyword:	Naphthoquinone Active ester Enolate alkylation