Record Details

Mechanism of Catalytic Functionalization of Primary C-H Bonds Using a Silylation Strategy

DSpace at IIT Bombay

View Archive Info
 
 
Field Value
 
Title Mechanism of Catalytic Functionalization of Primary C-H Bonds Using a Silylation Strategy
 
Creator PARIJA, A
SUNOJ, RB
 
Subject CROSS-COUPLING REACTIONS
DENSITY FUNCTIONALS
ACTIVATION
COMPLEXES
LIGANDS
CARBON
 
Description The mechanism of Ir-catalyzed gamma-functionalization of a primary sp(3)(C-H) bond in 2-methyl cyclohexanol is examined using the density functional theory (M06). The nature of the active catalyst for the initial silylation of alcohol is identified as the monomer derived from [Ir(cod)OMe](2) while that for gamma-sp(3)(C-H) activation leading to oxasilolane is (IrH(nbe)(phen)]. The rate-determining step is found to involve Si-C coupling through reductive elimination.
 
Publisher AMER CHEMICAL SOC
 
Date 2014-10-15T13:27:14Z
2014-10-15T13:27:14Z
2013
 
Type Article
 
Identifier ORGANIC LETTERS, 15(16)4066-4069
http://dx.doi.org/10.1021/ol401597t
http://dspace.library.iitb.ac.in/jspui/handle/100/15002
 
Language en