Mechanistic studies on stereoselective organocatalytic direct β-C–H activation in an aliphatic chain by chiral N-heterocyclic carbenes
The functionalization of aliphatic and aromatic C–H bonds has remained a priority in
transition-metal catalysis for the last few decades. N-heterocyclic carbenes (NHCs) have
very recently been proven as an effective organocatalytic alternative toward site-selective
sp3 β-C–H bond functionalization in aliphatic esters and related compounds. We have
employed modern density functional theory computations to provide the first mechanistic
insights into this entirely new form of reactivity of NHCs, leading to β-C–H bond activation …
transition-metal catalysis for the last few decades. N-heterocyclic carbenes (NHCs) have
very recently been proven as an effective organocatalytic alternative toward site-selective
sp3 β-C–H bond functionalization in aliphatic esters and related compounds. We have
employed modern density functional theory computations to provide the first mechanistic
insights into this entirely new form of reactivity of NHCs, leading to β-C–H bond activation …
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