Ontology highlight
ABSTRACT:
SUBMITTER: Vilella L
PROVIDER: S-EPMC5863614 | biostudies-other | 2017 Dec
REPOSITORIES: biostudies-other
Chemical science 20171005 12
A dual mechanism for direct benzene catalytic hydroxylation is described. Experimental studies and DFT calculations have provided a mechanistic explanation for the acid-free, Tp <sup><i>x</i></sup> Cu-catalyzed hydroxylation of benzene with hydrogen peroxide (Tp <sup><i>x</i></sup> = hydrotrispyrazolylborate ligand). In contrast with other catalytic systems that promote this transformation through Fenton-like pathways, this system operates through a copper-oxyl intermediate that may interact wit ...[more]