Thermal isomerization of (+)-cis- and (-)-trans-pinane leading to (-)-beta-citronellene and (+)-isocitronellene

Chemistry. 2008;14(22):6805-14. doi: 10.1002/chem.200800298.

Abstract

Catalyzed and uncatalyzed rearrangement reactions of terpenoids play a major role in laboratory and industrial-scale synthesis of fine chemicals. Herein, we present our results on the thermally induced isomerization of pinane (1). Investigation of the thermal behavior of (+)-cis- (1 a) and (-)-trans-pinane (1 b) in a flow-type reactor reveals significant differences in both reactivity and selectivity concerning the formation of (-)-beta-citronellene (2) and (+)-isocitronellene (3) as main products. Possible explanations for these results are discussed on the basis of reaction mechanism and ground-state geometries for 1 a and 1 b. To identify side reactions caused from ene cyclizations of 2 and 3, additional pyrolysis experiments were conducted that enabled the identification of almost all compounds in the network of C(10)H(18)-hydrocarbon products formed from 1.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Bicyclic Monoterpenes
  • Magnetic Resonance Spectroscopy
  • Mass Spectrometry
  • Monoterpenes / chemical synthesis*
  • Monoterpenes / chemistry
  • Stereoisomerism
  • Temperature
  • Terpenes / chemistry*

Substances

  • Bicyclic Monoterpenes
  • Monoterpenes
  • Terpenes
  • beta-citronellene
  • isocitronellene
  • pinane