Ontology highlight
ABSTRACT:
SUBMITTER: Chen PP
PROVIDER: S-EPMC9701199 | biostudies-literature | 2022 Nov
REPOSITORIES: biostudies-literature
Nature communications 20221126 1
Rh(I)-catalyzed cycloisomerizations of bicyclo[1.1.0]butanes provide a fruitful approach to cyclopropane-fused heterocycles. Products and stereochemical outcome are highly dependent on catalyst. The triphenylphosphine (PPh<sub>3</sub>) ligand provides pyrrolidines, placing substituents anti to the cyclopropyl group. The 1,2-bis(diphenylphosphino)ethane (dppe) ligand yields azepanes with substituents syn to the cyclopropyl group. In this work, quantum mechanical DFT calculations pinpoint a revers ...[more]