Why a proximity-induced Diels-Alder reaction is so fast

Org Lett. 2012 Jun 15;14(12):3016-9. doi: 10.1021/ol301083q. Epub 2012 May 25.

Abstract

Unlike normal Diels-Alder reactions of acyclic alkadienes with alkenes, the vinylbicyclo[2.2.2]octene employed in the Baran total synthesis of vinigrol undergoes a quantitative Diels-Alder reaction with a tethered alkene at room temperature. Density functional theory calculations reveal that this unprecedented reactivity originates from a combination of preorganization, diene strain, and tether stabilization.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Cyclization
  • Diterpenes / chemical synthesis*
  • Models, Molecular
  • Molecular Structure
  • Time Factors

Substances

  • Diterpenes
  • vinigrol