ethyl 3-hydroxy-3-(10-ethyl-10H-phenothiazin-3-yl)-propanoate | 1224875-10-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: ethyl 3-hydroxy-3-(10-ethyl-10H-phenothiazin-3-yl)-propanoate
• CAS: 1224875-10-8
• 化学式: C₁₉H₂₁NO₃S
• 分子量: 343.447
• InChiKey: WTBPWBKVKUKEOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  49.77
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-hydroxy-3-(10-ethyl-10H-phenothiazin-3-yl)-propanoate 在 pig liver esterase 作用下， 以99%的产率得到3-hydroxy-3-(10-ethyl-10H-phenothiazin-3-yl)propanoic acid
  参考文献：
  名称：

  Enzyme-catalyzed synthesis of (R)- and (S)-3-hydroxy-3-(10-alkyl-10H-phenothiazin-3-yl)propanoic acids

  摘要：

  Starting from the racemic ethyl 3-hydroxy-3-(10-alkyl-10H-phenothiazin-3-yl)propanoates as substrates, a multienzymatic procedure was developed for the efficient synthesis of the corresponding highly enantiomerically enriched (R)- and (S)-3-heteroaryl-3-hydroxypropanoic acids. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.02.006
• 作为产物：
  描述：

  10-ethyl-10H-phenothiazine-3-carbaldehyde 、 溴乙酸乙酯 在 锌 作用下， 以 四氢呋喃 为溶剂， 以60%的产率得到ethyl 3-hydroxy-3-(10-ethyl-10H-phenothiazin-3-yl)-propanoate
  参考文献：
  名称：

  Enzyme-catalyzed synthesis of (R)- and (S)-3-hydroxy-3-(10-alkyl-10H-phenothiazin-3-yl)propanoic acids

  摘要：

  Starting from the racemic ethyl 3-hydroxy-3-(10-alkyl-10H-phenothiazin-3-yl)propanoates as substrates, a multienzymatic procedure was developed for the efficient synthesis of the corresponding highly enantiomerically enriched (R)- and (S)-3-heteroaryl-3-hydroxypropanoic acids. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.02.006

文献信息

• Enzyme-catalyzed synthesis of (R)- and (S)-3-hydroxy-3-(10-alkyl-10H-phenothiazin-3-yl)propanoic acids
  作者：Jürgen Brem、Monica Ioana Toşa、Csaba Paizs、Elemér Vass、Florin Dan Irimie

  DOI：10.1016/j.tetasy.2010.02.006

  日期：2010.3

  Starting from the racemic ethyl 3-hydroxy-3-(10-alkyl-10H-phenothiazin-3-yl)propanoates as substrates, a multienzymatic procedure was developed for the efficient synthesis of the corresponding highly enantiomerically enriched (R)- and (S)-3-heteroaryl-3-hydroxypropanoic acids. (C) 2010 Elsevier Ltd. All rights reserved.