Crystal structures of 10alpha-gon-5-enes from the synthetic pathway to desogestrel

Steroids. 2005 Aug;70(9):660-6. doi: 10.1016/j.steroids.2005.03.006.

Abstract

X-ray crystallographic studies performed on the product of the ketalization reaction of 13beta-ethyl-11alpha-hydroxy-gon-5-ene-3,17-dione have lead to the unequivocal assignment of the 10alpha stereochemistry to C10, showing that an inversion of configuration occurred during formation of the 3,17-diketal. From the Swern oxidation of this compound, 11alpha-(methylthio)methoxy-10alpha-gonene was obtained as the major product instead of the desired 11-ketone. Modeling studies showed that the configurational instability at C10 is determined by the presence of the 11alpha-hydroxyl group.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Desogestrel / chemical synthesis*
  • Gonanes / chemical synthesis
  • Gonanes / chemistry*
  • Magnetic Resonance Spectroscopy
  • Mass Spectrometry
  • Models, Molecular
  • Molecular Conformation
  • Molecular Structure

Substances

  • Gonanes
  • Desogestrel