2-hydroxy-6-isopropenyl-3-methylcyclohex-3-enone | 1312081-90-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-hydroxy-6-isopropenyl-3-methylcyclohex-3-enone
• 英文别名: 2-Hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-one
• CAS: 1312081-90-5
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: ZURJLTLIZXITCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (+/-)-Verbenon-epoxid 以 二氧化碳 、 水 、 异丙醇 为溶剂， 239.84 ℃ 、14.19 MPa 条件下， 以7.15%的产率得到2-hydroxy-6-isopropenyl-3-methylcyclohex-3-enone
  参考文献：
  名称：

  The thermolysis of α-pinene and verbenone epoxides in supercritical solvents

  摘要：

  Thermal transformations of alpha-pinene and verbenone epoxides were studied in supercritical solvents with complex compositions, including CO2, lower alcohols (ethanol and isopropanol), and water, over the temperature and pressure ranges 387-575 K and 135-215 atm. The main product from alpha-pinene epoxide in a supercritical solvent containing water was campholenic aldehyde and pinocamphone; the total content of these products in the reaction mixture was 80%. Suggestions concerning the mechanism of the thermal isomerization of alpha-pinene epoxide depending on the acidity of supercritical solvents were made. The direction of verbenone epoxide transformations was independent of the presence of water in the mixture. The main identified products were ketoalcohols with para-menthane and camphane frameworks.

  DOI：

  10.1134/s0036024410070058

文献信息

• The thermolysis of α-pinene and verbenone epoxides in supercritical solvents
  作者：V. I. Anikeev、I. V. Il’ina、K. P. Volcho、A. Ermakova、N. F. Salakhutdinov

  DOI：10.1134/s0036024410070058

  日期：2010.1

  Thermal transformations of alpha-pinene and verbenone epoxides were studied in supercritical solvents with complex compositions, including CO2, lower alcohols (ethanol and isopropanol), and water, over the temperature and pressure ranges 387-575 K and 135-215 atm. The main product from alpha-pinene epoxide in a supercritical solvent containing water was campholenic aldehyde and pinocamphone; the total content of these products in the reaction mixture was 80%. Suggestions concerning the mechanism of the thermal isomerization of alpha-pinene epoxide depending on the acidity of supercritical solvents were made. The direction of verbenone epoxide transformations was independent of the presence of water in the mixture. The main identified products were ketoalcohols with para-menthane and camphane frameworks.