(2-Hydroxy-3-phenylmethoxypropyl) octanoate | 54405-87-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: (2-Hydroxy-3-phenylmethoxypropyl) octanoate
• CAS: 54405-87-7
• 化学式: C₁₈H₂₈O₄
• 分子量: 308.418
• InChiKey: PUASTIQQVPJYLW-UHFFFAOYSA-N

物化性质

• 沸点：
  434.4±35.0 °C(Predicted)
• 密度：
  1.045±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-Hydroxy-3-phenylmethoxypropyl) octanoate 、 辛酰氯 生成 1-O-benzyl-2,3-di-O-octanoyl-rac-glycerol
  参考文献：
  名称：

  Metal-Catalyzed Transesterification for Healing and Assembling of Thermosets

  摘要：

  Catalytic control of bond exchange reactions enables healing of cross-linked polymer materials under a wide range of conditions. The healing capability at high temperatures is demonstrated for epoxy-acid and epoxy anhydride thermoset networks in the presence of transesterification catalysts. At lower temperatures, the exchange reactions are very sluggish, and the materials have properties of classical epoxy thermosets. Studies of model molecules confirmed that the healing kinetics is controlled by the transesterification reaction rate. The possibility of varying the catalyst concentration brings control and flexibility of welding and assembling of epoxy thermosets that do not exist for thermoplastics.

  DOI：

  10.1021/ja302894k
• 作为产物：
  描述：

  苄基缩水甘油醚 、 辛酸 在 2-甲基咪唑 作用下， 反应 1.0h， 生成 (2-Hydroxy-3-phenylmethoxypropyl) octanoate
  参考文献：
  名称：

  Metal-Catalyzed Transesterification for Healing and Assembling of Thermosets

  摘要：

  Catalytic control of bond exchange reactions enables healing of cross-linked polymer materials under a wide range of conditions. The healing capability at high temperatures is demonstrated for epoxy-acid and epoxy anhydride thermoset networks in the presence of transesterification catalysts. At lower temperatures, the exchange reactions are very sluggish, and the materials have properties of classical epoxy thermosets. Studies of model molecules confirmed that the healing kinetics is controlled by the transesterification reaction rate. The possibility of varying the catalyst concentration brings control and flexibility of welding and assembling of epoxy thermosets that do not exist for thermoplastics.

  DOI：

  10.1021/ja302894k