[(2Z,6E)-8-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate | 553666-93-6

• 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: [(2Z,6E)-8-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
• CAS: 553666-93-6
• 化学式: C₁₄H₂₂O₄
• 分子量: 254.326
• InChiKey: PJAHPEXZNWUNLF-MVOOLVRYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [(2Z,6E)-8-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate 在 吡啶 、 lipase PS-D 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 (2'Z,6'E)-Essigsaeure-(8'-hydroxy-3',7'-dimethyl-2',6'-octadien-1'-yl)ester
  参考文献：
  名称：

  Highly regioselective lipase-catalyzed acetylation and hydrolysis of acyclic α,ω-terpenediols and their diacetates

  摘要：

  Highly regioselective transformations of the acyclic alpha,omega-terpenediols and their diacetates to the monoacetates using lipase were accomplished. The acetylation of the alpha,omega-terpenediols gave regioselectively the omega-monoacetates 3, whereas the alpha-monoacetates 2 were obtained by hydrolysis of the alpha,omega-diacetates. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00626-9
• 作为产物：
  描述：

  乙酸乙烯酯 、 (E,Z)-2,6-二甲基-2,6-辛二烯-1,8-二醇 在 lipase PS-D 作用下， 反应 1.0h， 生成 8-acetoxy-3,7-dimethyl-2(Z),6(E)-octadien-1-ol 、 [(2Z,6E)-8-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
  参考文献：
  名称：

  Highly regioselective lipase-catalyzed acetylation and hydrolysis of acyclic α,ω-terpenediols and their diacetates

  摘要：

  Highly regioselective transformations of the acyclic alpha,omega-terpenediols and their diacetates to the monoacetates using lipase were accomplished. The acetylation of the alpha,omega-terpenediols gave regioselectively the omega-monoacetates 3, whereas the alpha-monoacetates 2 were obtained by hydrolysis of the alpha,omega-diacetates. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00626-9