1-(dimethylamino)-2-propanyl butyrate | 98956-88-8

• 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-(dimethylamino)-2-propanyl butyrate
• 英文别名: butyric acid-(β-dimethylamino-isopropyl ester)；Buttersaeure-(β-dimethylamino-isopropylester)；2-Butyryloxy-1-dimethylamino-propan；Propane, 2-butyryloxy-1-dimethylamino-；1-(dimethylamino)propan-2-yl butanoate
• CAS: 98956-88-8
• 化学式: C₉H₁₉NO₂
• 分子量: 173.255
• InChiKey: UKUNIEPAEIRELD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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-(dimethylamino)-2-propanyl butyrate 在 Bacillus licheniformis subtilisin 、 水 作用下， 反应 16.0h， 生成 (S)-(+)-1-二甲氨基-2-丙醇 、 R-(-)-1-二甲氨基-2-丙醇 、 (R)-1-(dimethylamino)-2-propanyl 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-(dimethylamino)-2-propanyl butyrate butyric acid salt 在 水 、 sodium carbonate 作用下， 以 正己烷 为溶剂， 生成 1-(dimethylamino)-2-propanyl 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

• Tammelin, Acta Chemica Scandinavica (1947), 1957, vol. 11, p. 487,488
  作者：Tammelin

  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.