1-methyl-3-piperidinyl butyrate | 99176-14-4

• 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: 1-methyl-3-piperidinyl butyrate
• 英文别名: butyric acid-(1-methyl-[3]piperidyl ester)；Buttersaeure-(1-methyl-[3]piperidylester)；(1-Methylpiperidin-3-yl) butanoate
• CAS: 99176-14-4
• 化学式: C₁₀H₁₉NO₂
• mdl: MFCD24389734
• 分子量: 185.266
• InChiKey: KWCXBLLZBQWZBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-3-piperidinyl butyrate 在 Bacillus licheniformis subtilisin 、 水 作用下， 反应 16.0h， 生成 1-甲基-(R)-3-羟基哌啶 、 (S)-1-甲基-3-羟基哌啶 、 (R)-N-methylpiperidin-3-yl butyrate
  参考文献：
  名称：

  Simple one-pot process for the bioresolution of tertiary amino ester protic ionic liquids using subtilisin

  摘要：

  An efficient hydrolase-catalyzed bioresolution of tertiary amino ester protic ionic liquids has been demonstrated. Protic ionic liquids have been prepared in one step from the corresponding tertiary amino alcohols by treatment with butyric anhydride. After bioresolution, unreacted esters can be easily separated from the corresponding alcohols by extraction with hexane Bioresolution of quinuclidin-3-yl butyrate has been performed with excellent selectivity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.09.007
• 作为产物：
  描述：

  1-methyl-3-piperidinyl butyrate butyric acid salt 在 水 、 sodium carbonate 作用下， 以 正己烷 为溶剂， 生成 1-methyl-3-piperidinyl butyrate
  参考文献：
  名称：

  Simple one-pot process for the bioresolution of tertiary amino ester protic ionic liquids using subtilisin

  摘要：

  An efficient hydrolase-catalyzed bioresolution of tertiary amino ester protic ionic liquids has been demonstrated. Protic ionic liquids have been prepared in one step from the corresponding tertiary amino alcohols by treatment with butyric anhydride. After bioresolution, unreacted esters can be easily separated from the corresponding alcohols by extraction with hexane Bioresolution of quinuclidin-3-yl butyrate has been performed with excellent selectivity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.09.007

文献信息

• Dubravkova et al., Chemicke Zvesti, 1956, vol. 10, p. 421,423
  作者：Dubravkova et al.

  DOI：——

  日期：——
• Simple one-pot process for the bioresolution of tertiary amino ester protic ionic liquids using subtilisin
  作者：Maude Brossat、Thomas S. Moody、Stephen J.C. Taylor、Jonathan W. Wiffen

  DOI：10.1016/j.tetasy.2009.09.007

  日期：2009.9

  An efficient hydrolase-catalyzed bioresolution of tertiary amino ester protic ionic liquids has been demonstrated. Protic ionic liquids have been prepared in one step from the corresponding tertiary amino alcohols by treatment with butyric anhydride. After bioresolution, unreacted esters can be easily separated from the corresponding alcohols by extraction with hexane Bioresolution of quinuclidin-3-yl butyrate has been performed with excellent selectivity. (C) 2009 Elsevier Ltd. All rights reserved.