Kinetic control in the palladium-catalyzed synthesis of C(2)-symmetric hexabenzotriphenylene. A conformational study

Org Lett. 2000 Jun 1;2(11):1629-32. doi: 10.1021/ol005916p.

Abstract

The hitherto unisolated, thermodynamically unstable C(2)-symmetric conformer of hexabenzotriphenylene (1) has been efficiently synthesized by palladium-catalyzed cyclotrimerization of 9, 10-didehydrophenanthrene (4). The barriers to conformational interconversion of 1 are examined experimentally and by computational studies.