The Influence of Substitution on Thiol-Induced Oxanorbornadiene Fragmentation

Org Lett. 2021 May 7;23(9):3751-3754. doi: 10.1021/acs.orglett.1c01164. Epub 2021 Apr 14.

Abstract

Oxanorbornadienes (ONDs) undergo facile Michael addition with thiols and then fragment by a retro-Diels-Alder (rDA) reaction, a unique two-step sequence among electrophilic cleavable linkages. The rDA reaction rate was explored as a function of the furan structure, with substituents at the 2- and 5-positions found to be the most influential and the fragmentation rate to be inversely correlated with electron-withdrawing ability. Density functional theory calculations provided an excellent correlation with the experimentally measured OND rDA rates.

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

  • Cycloaddition Reaction
  • Electrons
  • Furans / chemistry*
  • Molecular Structure
  • Sulfhydryl Compounds / chemistry*

Substances

  • Furans
  • Sulfhydryl Compounds
  • furan