(S)-2-phenyl-3-butyroxypropylcarbamate | 171433-00-4

• 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: (S)-2-phenyl-3-butyroxypropylcarbamate
• 英文别名: [(2S)-3-carbamoyloxy-2-phenylpropyl] butanoate
• CAS: 171433-00-4
• 化学式: C₁₄H₁₉NO₄
• 分子量: 265.309
• InChiKey: MPTDOMVQSXAQIY-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-2-phenyl-3-butyroxypropylcarbamate 以 甲醇 为溶剂， 反应 25.0h， 以1.26 g的产率得到
  参考文献：
  名称：

  A chemoenzymatic synthesis of both enantiomers of 2-phenyl-3-hydroxypropylcarbamate, a metabolite of felbamate

  摘要：

  PPL catalyzed desymmetrization of 2-phenyl-1,3-propanediol (3) was the key step in the chemoenzymatic synthesis of both enantiomers of 2-phenyl-3-hydroxypropylcarbamate (2). Unsuccessful attempts at enzyme catalyzed (PPL, Novo SP435) transcarbamoylation, aminolysis and ammonolysis are also described.

  DOI：

  10.1016/0957-4166(95)00222-b
• 作为产物：
  描述：

  2-苯基-1,3-丙二醇 在 氨 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 生成 (S)-2-phenyl-3-butyroxypropylcarbamate
  参考文献：
  名称：

  A chemoenzymatic synthesis of both enantiomers of 2-phenyl-3-hydroxypropylcarbamate, a metabolite of felbamate

  摘要：

  PPL catalyzed desymmetrization of 2-phenyl-1,3-propanediol (3) was the key step in the chemoenzymatic synthesis of both enantiomers of 2-phenyl-3-hydroxypropylcarbamate (2). Unsuccessful attempts at enzyme catalyzed (PPL, Novo SP435) transcarbamoylation, aminolysis and ammonolysis are also described.

  DOI：

  10.1016/0957-4166(95)00222-b

文献信息

• A chemoenzymatic synthesis of both enantiomers of 2-phenyl-3-hydroxypropylcarbamate, a metabolite of felbamate
  作者：Brian Morgan、Greg Bydlinsky、David R Dodds

  DOI：10.1016/0957-4166(95)00222-b

  日期：1995.7

  PPL catalyzed desymmetrization of 2-phenyl-1,3-propanediol (3) was the key step in the chemoenzymatic synthesis of both enantiomers of 2-phenyl-3-hydroxypropylcarbamate (2). Unsuccessful attempts at enzyme catalyzed (PPL, Novo SP435) transcarbamoylation, aminolysis and ammonolysis are also described.