3-羟基癸烷二酸二甲酯 | 93090-88-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-羟基癸烷二酸二甲酯
• 英文名称: dimethyl 3-hydroxydecanedioate
• CAS: 93090-88-1
• 化学式: C₁₂H₂₂O₅
• 分子量: 246.304
• InChiKey: SZLTZVUJGVLTSM-UHFFFAOYSA-N

物化性质

• 沸点：
  307.2±27.0 °C(Predicted)
• 密度：
  1.064±0.06 g/cm3(Predicted)
• LogP：
  1.195 (est)
• 保留指数：
  1757.1

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2918199090

反应信息

• 作为反应物：
  描述：

  3-羟基癸烷二酸二甲酯 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以79%的产率得到dimethyl 3-oxodecanedioate
  参考文献：
  名称：

  A mass spectrometric study of the dimethyl ester trimethylsilyl enol ether derivatives of some 3-oxodicarboxylic acids

  摘要：

  AbstractThe fragmentation pathways for the dimethyl ester trimethylsilyl enol ether derivatives of some 3‐oxodicarboxylic acids have been found by using B/E and B2/E linked scans, collisional activated decomposition and isotope substitution techniques. The trimethylsilyloxy group strongly directs the decomposition processes, and induces a fragmentation pattern that intimately reflects the structure of the compounds.

  DOI：

  10.1002/oms.1210220803
• 作为产物：
  描述：

  methyl 8-oxooctanoate 、 溴乙酸甲酯 在 锌 作用下， 以 乙醚 、 苯 为溶剂， 反应 3.0h， 生成 3-羟基癸烷二酸二甲酯
  参考文献：
  名称：

  A mass spectrometric study of dimethyl ester trimethylsilyl ether derivatives of some 3-hydroxydicarboxylic acids

  摘要：

  AbstractThe fragmentation pathways for the dimethyl ester trimethylsilyl ether derivatives of some 3‐hydroxydicarboxylic acids have been found by using B/E 2nd B2/E linked scans and isotope substitution techniques. Most of the fragments are due to ionization at silicon, which induces a fragmentation pattern that intimately reflects the structure of the compounds.

  DOI：

  10.1002/oms.1210220708

文献信息

• A mass spectrometric study of dimethyl ester trimethylsilyl ether derivatives of some 3-hydroxydicarboxylic acids
  作者：John S. Svendsen、Leiv K. Sydnes、Jon E. Whist

  DOI：10.1002/oms.1210220708

  日期：1987.7

  AbstractThe fragmentation pathways for the dimethyl ester trimethylsilyl ether derivatives of some 3‐hydroxydicarboxylic acids have been found by using B/E 2nd B2/E linked scans and isotope substitution techniques. Most of the fragments are due to ionization at silicon, which induces a fragmentation pattern that intimately reflects the structure of the compounds.
• A mass spectrometric study of the dimethyl ester trimethylsilyl enol ether derivatives of some 3-oxodicarboxylic acids
  作者：John S. Svendsen、Jon E. Whist、Leiv K. Sydnest

  DOI：10.1002/oms.1210220803

  日期：1987.8

  AbstractThe fragmentation pathways for the dimethyl ester trimethylsilyl enol ether derivatives of some 3‐oxodicarboxylic acids have been found by using B/E and B2/E linked scans, collisional activated decomposition and isotope substitution techniques. The trimethylsilyloxy group strongly directs the decomposition processes, and induces a fragmentation pattern that intimately reflects the structure of the compounds.