2-Hexylidenepropane-1,3-diol | 866129-44-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-Hexylidenepropane-1,3-diol
• 英文别名: 2-hexylidenepropane-1,3-diol
• CAS: 866129-44-4
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: KJFRCBQDKWDYAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Hexylidenepropane-1,3-diol 在 lipase AY (Candida rugosa, Amano) 吡啶 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 116.0h， 生成
  参考文献：
  名称：

  Highly regioselective lipase-catalyzed acetylation and hydrolysis of acyclic α,α′-alkenediols and their diacetates

  摘要：

  Highly regioselective transformation of acyclic alpha,alpha'-alkenediols and their corresponding diacetates to monoacetates using lipase was accomplished. The acetylation of the alpha,alpha'-alkenediol regioselectively gave (E)-monoacetate, whereas the (Z)-monoacetate were obtained by hydrolysis of the alpha,alpha'-diacetate. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.07.039
• 作为产物：
  描述：

  在 对甲苯磺酸 作用下， 以 甲醇 、 水 为溶剂， 生成 2-Hexylidenepropane-1,3-diol
  参考文献：
  名称：

  Highly regioselective lipase-catalyzed acetylation and hydrolysis of acyclic α,α′-alkenediols and their diacetates

  摘要：

  Highly regioselective transformation of acyclic alpha,alpha'-alkenediols and their corresponding diacetates to monoacetates using lipase was accomplished. The acetylation of the alpha,alpha'-alkenediol regioselectively gave (E)-monoacetate, whereas the (Z)-monoacetate were obtained by hydrolysis of the alpha,alpha'-diacetate. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.07.039

文献信息

• Highly regioselective lipase-catalyzed acetylation and hydrolysis of acyclic α,α′-alkenediols and their diacetates
  作者：Takaya Hisano、Kotoko Onodera、Yasuhiro Toyabe、Nobuyuki Mase、Hidemi Yoda、Kunihiko Takabe

  DOI：10.1016/j.tetlet.2005.07.039

  日期：2005.9

  Highly regioselective transformation of acyclic alpha,alpha'-alkenediols and their corresponding diacetates to monoacetates using lipase was accomplished. The acetylation of the alpha,alpha'-alkenediol regioselectively gave (E)-monoacetate, whereas the (Z)-monoacetate were obtained by hydrolysis of the alpha,alpha'-diacetate. (c) 2005 Elsevier Ltd. All rights reserved.