1,3-二羟基丙烷-2-基己基氨基甲酸酯 | 683799-96-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 中文名称: 1,3-二羟基丙烷-2-基己基氨基甲酸酯
• 英文名称: 1,3-dihydroxypropan-2-yl N-hexylcarbamate
• CAS: 683799-96-4
• 化学式: C₁₀H₂₁NO₄
• 分子量: 219.281
• InChiKey: IAQSYZCNTVDYQW-UHFFFAOYSA-N

物化性质

• 沸点：
  399.4±32.0 °C(Predicted)
• 密度：
  1.089±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  78.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  羟甲基二氧杂戊环酮 、 正己胺 反应 2.0h， 以9%的产率得到甘油
  参考文献：
  名称：

  碳酸甘油酯在有机和有机介质中的氨解反应

  摘要：

  AbstractAminolysis reaction of glycerol carbonate with primary amine in organic and hydroorganic media leads to the formation of two hydroxyurethane isomers and a partial decomposition of glycerol carbonate into glycerol. Aminolysis with a secondary amine promotes the condensation reaction and limits the formation of glycerol. The ratio of α versus β was determined by zgig 13C NMR. This technique permits computing the yield of α and β products in the medium. The quantity of glycerol was determined by GC analysis. The ratio of the isomers and the amount of glycerol depend on the amine and the solvent. Kinetic investigations reveal that, in hydroorganic medium, the more the alkyl chain of the amine increased, the less glycerol was formed. On the contrary, in organic medium, the alkyl chain of the amine does not play a major role in the formation of glycerol.

  DOI：

  10.1007/s11746-011-1995-5