limonene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: limonene
• 英文别名: r-Limonene；1-methyl-4-prop-1-en-2-yl-7,8,9-trioxabicyclo[4.2.1]nonane
• 化学式: C₁₀H₁₆O₃
• 分子量: 184.235
• InChiKey: JRFITZGBELIFQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  limonene 反应 144.0h， 以30%的产率得到
  参考文献：
  名称：

  Transformation of peroxide products of (S)-(-)-limonene ozonolysis in the system HCl-methanol

  摘要：

  Peroxide products of partial ozonolysis of (S)-(-)-limonene (ee 50%) in cyclohexane-methanol at 2-4A degrees C were treated with a solution of HCl in methanol, which led to the formation of a 4: 1 mixture of methyl [(1S)-2,4-dimethoxy-2,4-dimethylcyclohexyl]acetate and [(1S)-2,4-dimethoxy-2,4-dimethylcyclohexyl]acetaldehyde, each being represented by a single pair of diastereoisomers at a ratio of 3: 1.

  DOI：

  10.1134/s1070428014120045
• 作为产物：
  描述：

  limonene. 在 臭氧 作用下， 以 甲醇 为溶剂， 生成 limonene
  参考文献：
  名称：

  Transformation of peroxide products of (S)-(-)-limonene ozonolysis in the system HCl-methanol

  摘要：

  Peroxide products of partial ozonolysis of (S)-(-)-limonene (ee 50%) in cyclohexane-methanol at 2-4A degrees C were treated with a solution of HCl in methanol, which led to the formation of a 4: 1 mixture of methyl [(1S)-2,4-dimethoxy-2,4-dimethylcyclohexyl]acetate and [(1S)-2,4-dimethoxy-2,4-dimethylcyclohexyl]acetaldehyde, each being represented by a single pair of diastereoisomers at a ratio of 3: 1.

  DOI：

  10.1134/s1070428014120045