Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study

Under irradiation, 1,3-bis(diethoxyphosphoryloxy)-4-chlorobenzene (2), 1,4-bis(diethoxyphosphoryloxy)-3-chlorobenzene (3) and 1,3-bis(diethoxyphosphoryloxy)-5-chlorobenzene (4) react with trimethyltinsodium(1) in liquid ammonia giving entirely different distribution of stannylated products. These di...

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Detalles Bibliográficos
Autores: Dorn, Viviana, Silbestri, Gustavo Fabián, Lockhart, María Teresa, Chopa, Alicia Beatriz, Pierini, Adriana Beatriz
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2013
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/5323
Acceso en línea:http://hdl.handle.net/11336/5323
Access Level:acceso abierto
Palabra clave:Aryl Phosphates
Srn1
Stannyl Anions
Dft
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
Descripción
Sumario:Under irradiation, 1,3-bis(diethoxyphosphoryloxy)-4-chlorobenzene (2), 1,4-bis(diethoxyphosphoryloxy)-3-chlorobenzene (3) and 1,3-bis(diethoxyphosphoryloxy)-5-chlorobenzene (4) react with trimethyltinsodium(1) in liquid ammonia giving entirely different distribution of stannylated products. These differences are explained through theoretical DFT studies. Experimental evidence for the involvement of an SRN1 mechanism was obtained

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