Chemoenzymatic Synthesis of the Most Pleasant Stereoisomer of Jessemal

J Org Chem. 2022 May 6;87(9):6499-6503. doi: 10.1021/acs.joc.2c00427. Epub 2022 Apr 20.

Abstract

We describe the asymmetric synthesis of the most pleasant enantiomer of Jessemal fragrance. The key steps are (i) the one-pot reduction of an α-chloro-tetrasubstituted cyclohexenone to give the chlorohydrin, catalyzed by two stereoselective redox enzymes (an ene-reductase and an alcohol dehydrogenase); (ii) the regioselective epoxide ring-opening with organocuprate or organolithium nucleophiles. Density functional theory calculations together with the Curtin-Hammett principle allowed the rationalization of the regioselectivity.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acetates*
  • Epoxy Compounds
  • Pyrans*
  • Stereoisomerism

Substances

  • Acetates
  • Epoxy Compounds
  • Pyrans
  • jessemal