Butyric acid 1-methyl-2-phenethyloxy-ethyl ester | 185499-98-3

• 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: Butyric acid 1-methyl-2-phenethyloxy-ethyl ester
• 英文别名: 1-(2-Phenylethoxy)propan-2-yl butanoate；1-(2-phenylethoxy)propan-2-yl butanoate
• CAS: 185499-98-3
• 化学式: C₁₅H₂₂O₃
• 分子量: 250.338
• InChiKey: NHDUIRUKBPGBGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Butyric acid 1-methyl-2-phenethyloxy-ethyl ester 生成 Butyric acid (S)-1-methyl-2-phenethyloxy-ethyl ester
  参考文献：
  名称：

  Resolution of 1-phenoxy-, 1-phenylmethoxy- and 1-(2-phenylethoxy)-2-propanol and their butanoates by hydrolysis with lipase B from Candida antarctica

  摘要：

  Resolutions of butanoic esters of 1-phenoxy-2-propanol, 1-phenylmethoxy-2-propanol and 1-(2-phenylethoxy)-2-propanol have been studied with four different lipases as catalysts. Using lipase B from Candida antarctica very high enantiomer ratios were obtained. These substrate-lipase pairs represent an excellent way of getting enantiomerically pure protected 1,2-propanediols in high chemical yield. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00420-x

文献信息

• Resolution of 1-phenoxy-, 1-phenylmethoxy- and 1-(2-phenylethoxy)-2-propanol and their butanoates by hydrolysis with lipase B from Candida antarctica
  作者：Bård H. Hoff、Viggo Waagen、Thorleif Anthonsen

  DOI：10.1016/0957-4166(96)00420-x

  日期：1996.11

  Resolutions of butanoic esters of 1-phenoxy-2-propanol, 1-phenylmethoxy-2-propanol and 1-(2-phenylethoxy)-2-propanol have been studied with four different lipases as catalysts. Using lipase B from Candida antarctica very high enantiomer ratios were obtained. These substrate-lipase pairs represent an excellent way of getting enantiomerically pure protected 1,2-propanediols in high chemical yield. Copyright (C) 1996 Elsevier Science Ltd