(S)-3-(benzo[b]thiophen-3-yl)-3-hydroxypropanoic acid | 1159407-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: (S)-3-(benzo[b]thiophen-3-yl)-3-hydroxypropanoic acid
• 英文别名: (3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid
• CAS: 1159407-25-6
• 化学式: C₁₁H₁₀O₃S
• 分子量: 222.265
• InChiKey: JCNNHLGZXSFYHK-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  85.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (S)-ethyl 3-(benzo[b]thiophen-3-yl)-3-hydroxypropanoate 在 pig liver esterase 、 水 作用下， 以 四氢呋喃 、 环己烷 为溶剂， 生成 (S)-3-(benzo[b]thiophen-3-yl)-3-hydroxypropanoic acid
  参考文献：
  名称：

  Enzyme-catalyzed synthesis of (R)- and (S)-3-heteroaryl-3-hydroxy-propanoic acids and their derivatives

  摘要：

  Starting from the racemic 3-benzofuranyl- and 3-benzo[b]thiophenyl-3-hydroxypropanoic acid ethyl esters as substrates, various multistep enzymatic procedures were developed for the efficient synthesis of the corresponding highly enantiomerically enriched (R)- and (S)-3-heteroaryl-3-hydroxypropanoic acids. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.02.001

文献信息

• Enzyme-catalyzed synthesis of (R)- and (S)-3-heteroaryl-3-hydroxy-propanoic acids and their derivatives
  作者：Jürgen Brem、Csaba Paizs、Monica Ioana Toşa、Elemér Vass、Florin Dan Irimie

  DOI：10.1016/j.tetasy.2009.02.001

  日期：2009.3

  Starting from the racemic 3-benzofuranyl- and 3-benzo[b]thiophenyl-3-hydroxypropanoic acid ethyl esters as substrates, various multistep enzymatic procedures were developed for the efficient synthesis of the corresponding highly enantiomerically enriched (R)- and (S)-3-heteroaryl-3-hydroxypropanoic acids. (c) 2009 Elsevier Ltd. All rights reserved.