Experimental and computational studies of the mechanism of iron-catalysed C-H activation/functionalisation with allyl electrophiles.

ABSTRACT: Synthetic methods that utilise iron to facilitate C-H bond activation to yield new C-C and C-heteroatom bonds continue to attract significant interest. However, the development of these systems is still hampered by a limited molecular-level understanding of the key iron intermediates and reaction pathways that enable selective product formation. While recent studies have established the mechanism for iron-catalysed C-H arylation from aryl-nucleophiles, the underlying mechanistic pathway of iron-catalysed C-H activation/functionalisation systems which utilise electrophiles to establish C-C and C-heteroatom bonds has not been determined. The present study focuses on an iron-catalysed C-H allylation system, which utilises allyl chlorides as electrophiles to establish a C-allyl bond. Freeze-tr

SUBMITTER: DeMuth JC 

PROVIDER: S-EPMC8278975 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature