1-吡咯烷羧酸,2-(1-羟基环戊基)-,乙基酯,(2S)- | 185246-67-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 1-吡咯烷羧酸,2-(1-羟基环戊基)-,乙基酯,(2S)-
• 英文名称: (S)-1-(2-N-ethoxycarbonylpyrrolidinyl)cyclopentanol
• 英文别名: Ethyl (2S)-2-(1-hydroxycyclopentyl)-1-pyrrolidinecarboxylate；ethyl (2S)-2-(1-hydroxycyclopentyl)pyrrolidine-1-carboxylate
• CAS: 185246-67-7
• 化学式: C₁₂H₂₁NO₃
• 分子量: 227.304
• InChiKey: JZJMMTWRIKAPTN-JTQLQIEISA-N

物化性质

• 沸点：
  336.7±35.0 °C(Predicted)
• 密度：
  1.185±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.91
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  49.77
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-吡咯烷羧酸,2-(1-羟基环戊基)-,乙基酯,(2S)- 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以73%的产率得到1-[(2S)-2-吡咯烷基]环戊醇
  参考文献：
  名称：

  Enantioselective reduction of ketones with borane catalyzed by cyclic β- amino alcohols prepared from proline

  摘要：

  New catalysts have been prepared from (S)- and (R)- proline and the asymmetric borane reduction of prochiral ketones using these catalysts has been studied. The secondary alcohols were obtained in 76-95% yield with 57-96% enantiomeric excesses. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0957-4166(96)00443-0
• 作为产物：
  描述：

  L-脯氨酸 在 potassium carbonate 、 magnesium 作用下， 反应 17.0h， 生成 1-吡咯烷羧酸,2-(1-羟基环戊基)-,乙基酯,(2S)-
  参考文献：
  名称：

  Enantioselective reduction of ketones with borane catalyzed by cyclic β- amino alcohols prepared from proline

  摘要：

  New catalysts have been prepared from (S)- and (R)- proline and the asymmetric borane reduction of prochiral ketones using these catalysts has been studied. The secondary alcohols were obtained in 76-95% yield with 57-96% enantiomeric excesses. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0957-4166(96)00443-0

文献信息

• Enantioselective reduction of ketones with borane catalyzed by cyclic β- amino alcohols prepared from proline
  作者：Ayhan S Demir、Idris Mecitoglu、Cihangir Tanyeli、Volkan Gülbeyaz

  DOI：10.1016/s0957-4166(96)00443-0

  日期：1996.12

  New catalysts have been prepared from (S)- and (R)- proline and the asymmetric borane reduction of prochiral ketones using these catalysts has been studied. The secondary alcohols were obtained in 76-95% yield with 57-96% enantiomeric excesses. Copyright (C) 1996 Elsevier Science Ltd