2-(ethoxycarbonyl)-1-(benzo[b]thiophen-2-yl)ethyl butyrate | 1159407-10-9

• 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: 2-(ethoxycarbonyl)-1-(benzo[b]thiophen-2-yl)ethyl butyrate
• 英文别名: [1-(1-benzothiophen-2-yl)-3-ethoxy-3-oxopropyl] butanoate
• CAS: 1159407-10-9
• 化学式: C₁₇H₂₀O₄S
• 分子量: 320.409
• InChiKey: XNBKVGMZFQGWII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(ethoxycarbonyl)-1-(benzo[b]thiophen-2-yl)ethyl butyrate 在 Burkholderia cepacia lipase 、 水 作用下， 以 四氢呋喃 、 环己烷 为溶剂， 生成 ethyl 3-(benzo[b]thiophen-2-yl)-3-hydroxypropanoate
  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
• 作为产物：
  描述：

  丁酸酐 、 ethyl 3-(benzo[b]thiophen-2-yl)-3-hydroxypropanoate 在 cobalt(II) chloride 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以95%的产率得到2-(ethoxycarbonyl)-1-(benzo[b]thiophen-2-yl)ethyl butyrate
  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.