methyl [2,4-dimethoxy-2,4-dimethylcyclohexyl]acetate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl [2,4-dimethoxy-2,4-dimethylcyclohexyl]acetate
• 化学式: C₁₃H₂₆O₄
• 分子量: 246.347
• InChiKey: LQPNNWRANSPVMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.95
• 重原子数：
  17.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  47.92
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  limonene. 在 盐酸氨基脲 、 臭氧 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 methyl [2,4-dimethoxy-2,4-dimethylcyclohexyl]acetate 、 methyl [2,4-dimethoxy-2,4-dimethylcyclohexyl]acetate
  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

文献信息

• Transformation of peroxide products of (S)-(-)-limonene ozonolysis in the system HCl-methanol
  作者：G. Yu. Ishmuratov、Yu. V. Legostaeva、L. R. Garifullina、L. P. Botsman、R. R. Muslukhov、G. A. Tolstikov

  DOI：10.1134/s1070428014120045

  日期：2014.12

  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.