(Z)-4-hydroxy-2-methylbut-2-enyl acetate | 104411-04-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (Z)-4-hydroxy-2-methylbut-2-enyl acetate
• 英文别名: [(Z)-4-hydroxy-2-methylbut-2-enyl] acetate
• CAS: 104411-04-3
• 化学式: C₇H₁₂O₃
• 分子量: 144.17
• InChiKey: XYZVZVCIPBEZQH-UTCJRWHESA-N

物化性质

• 沸点：
  224.0±28.0 °C(Predicted)
• 密度：
  1.041±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.49
• 重原子数：
  10.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (Z)-4-hydroxy-2-methylbut-2-enyl acetate 在 lipase PS-D 作用下， 反应 24.0h， 生成 (Z)-2-methylbut-2-ene-1,4-diol
  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：

  2-methyl-2-butene-1,4-diyl (Z)-diacetate 在 吡啶 、 lipase PS-D 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 (Z)-4-hydroxy-2-methylbut-2-enyl 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