Synthesis of enantiopure phthalides including 3-butylphthalide, a fragrance component of celery oil, and determination of their absolute configurations

Chirality. 2005 May 5;17(4):218-32. doi: 10.1002/chir.20156.

Abstract

Enantiopure phthalides 2 and 5-8 were synthesized via enantioresolution of the corresponding alcohols with a chiral auxiliary of camphorsultam dichlorophthalic acid, (1S,2R,4R)-(-)-CSDP acid 3, followed by solvolysis with KOH in MeOH and the catalytic oxidation of chiral glycols with iridium complex 28. The absolute configurations of phthalides 2 and 5-8 were determined by applying the (1)H-NMR anisotropy method of MalphaNP acid (4), 2-methoxy-2-(1-naphthyl)propionic acid, to the chiral synthetic precursory alcohols. In the case of 3-phenylphthalide (R)-(-)-7, the absolute configuration determined by the (1)H-NMR anisotropy method using MalphaNP acid 4 agreed with that by the X-ray crystallographic method. By applying these methods, 3-butylphthalide (S)-(-)-2, a fragrance component of essential oil of celery, has been synthesized in an enantiopure form, and its absolute configuration was unambiguously determined.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alcohols / chemical synthesis
  • Alcohols / chemistry
  • Apium / chemistry*
  • Benzofurans / chemical synthesis*
  • Benzofurans / chemistry*
  • Chromatography, High Pressure Liquid
  • Esters
  • Molecular Structure
  • Oils, Volatile / chemistry*
  • Perfume / chemistry*
  • Plant Oils / chemistry*
  • Silica Gel
  • Silicon Dioxide
  • Spectrum Analysis
  • Stereoisomerism

Substances

  • Alcohols
  • Benzofurans
  • Esters
  • Oils, Volatile
  • Perfume
  • Plant Oils
  • Silica Gel
  • Silicon Dioxide
  • phthalide