Selective B(5,8,9)-Triarylation Reaction of o-Carboranes through Determination of the Order of Introduction of Aryl Groups into B(4)-Acylamino- o-carboranes

Org Lett. 2021 Feb 19;23(4):1188-1193. doi: 10.1021/acs.orglett.0c04086. Epub 2021 Feb 4.

Abstract

Palladium-catalyzed iterative cage B-H arylation reaction of a wide range of B(4)-acylamino-o-carboranes with aryl iodides has been developed, leading to the formation of B(5,8,9)-triarylated B(4)-acylamino-o-carboranes with excellent regioselectivity. Moreover, B(5,8,9)-triarylated carboranes bearing three different aryl groups were synthesized from B(4)-acylamino-o-carborane and three different aryl iodides. The order of introduction [B(9) > B(8) > B(5)] of aryl groups into the B(5,8,9)-triarylation reaction was determined for the first time through NMR monitoring and X-ray analyses.