Isolation of Key Organometallic Aryl-Co(III) Intermediates in Cobalt- Catalyzed C(sp2)−H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms

The selective annulation reaction of alkynes with substrates containing inert C-H bonds using cobalt as catalyst is currently a topic attracting significant interest. Unfortunately, the mechanism of this transformation is still relatively poorly understood, with little experimental evidence for inte...

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Detalles Bibliográficos
Autores: Planas Fàbrega, Oriol, Whiteoak, Christopher J., Martin-Diaconescu, Vlad, Gamba, Ilaria, Luis Luis, Josep Maria, Parella Coll, Teodor, Company Casadevall, Anna, Ribas Salamaña, Xavi
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2016
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:10256/13704
Acceso en línea:http://hdl.handle.net/10256/13704
Access Level:acceso embargado
Palabra clave:Alquins
Alkynes
Reaccions químiques regioselectives
Chemical reactions
Descripción
Sumario:The selective annulation reaction of alkynes with substrates containing inert C-H bonds using cobalt as catalyst is currently a topic attracting significant interest. Unfortunately, the mechanism of this transformation is still relatively poorly understood, with little experimental evidence for intermediates, although an organometallic Co(III) species is generally implicated. Herein, we describe a rare example of the preparation and characterization of benchtop-stable organometallic aryl-Co(III) compounds (NMR, HRMS, XAS, and XRD) prepared through a C(sp2)-H activation, using a model macrocyclic arene substrate. Furthermore, we provide crystallographic evidence of an organometallic aryl-Co(III) intermediate proposed in 8-aminoquinoline-directed Co-catalyzed C-H activation processes. Subsequent insights obtained from the application of our new organometallic aryl-Co(III) compounds in alkyne annulation reactions are also disclosed. Evidence obtained from the resulting regioselectivity of the annulation reactions and DFT studies indicates that a mechanism involving an organometallic aryl-Co(III)-alkynyl intermediate species is preferred for terminal alkynes, in contrast to the generally accepted migratory insertion pathway