1-(10-butyl-10H-phenothiazin-3-yl)ethanol | 1251070-71-9

• 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: 1-(10-butyl-10H-phenothiazin-3-yl)ethanol
• CAS: 1251070-71-9
• 化学式: C₁₈H₂₁NOS
• 分子量: 299.437
• InChiKey: MMUHZIGOTBWDRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.14
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  23.47
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  丁酸酐 、 1-(10-butyl-10H-phenothiazin-3-yl)ethanol 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以68%的产率得到1-(10-butyl-10H-phenothiazin-3-yl)ethyl butyrate
  参考文献：
  名称：

  Lipase-catalyzed kinetic resolution of racemic 1-(10-alkyl-10H-phenothiazin-3-yl)ethanols and their butanoates

  摘要：

  The synthesis of both enantiomers of 1-(10-alkyl-10H-phenothiazin-3-yl)ethanols and their butanoates by enantiomer-selective acylation of racemic alcohols with the lipase from Pseudomonas fluorescens (L-AK) or/and by methanolysis of the corresponding racemic esters with lipase B from Candida antarctica (CaL-B) is described. The absolute configuration of the enantiomerically pure enantiomers was determined by X-ray crystallography. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.06.007
• 作为产物：
  描述：

  10-butyl-10H-phenothiazine-3-carbaldehyde 、 碘甲烷 在 magnesium 作用下， 以 乙醚 为溶剂， 以96%的产率得到1-(10-butyl-10H-phenothiazin-3-yl)ethanol
  参考文献：
  名称：

  Lipase-catalyzed kinetic resolution of racemic 1-(10-alkyl-10H-phenothiazin-3-yl)ethanols and their butanoates

  摘要：

  The synthesis of both enantiomers of 1-(10-alkyl-10H-phenothiazin-3-yl)ethanols and their butanoates by enantiomer-selective acylation of racemic alcohols with the lipase from Pseudomonas fluorescens (L-AK) or/and by methanolysis of the corresponding racemic esters with lipase B from Candida antarctica (CaL-B) is described. The absolute configuration of the enantiomerically pure enantiomers was determined by X-ray crystallography. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.06.007

文献信息

• Lipase-catalyzed kinetic resolution of racemic 1-(10-alkyl-10H-phenothiazin-3-yl)ethanols and their butanoates
  作者：Jürgen Brem、Monica-Ioana Toşa、Csaba Paizs、Anca Munceanu、Dubravka Matković-Čalogović、Florin-Dan Irimie

  DOI：10.1016/j.tetasy.2010.06.007

  日期：2010.8

  The synthesis of both enantiomers of 1-(10-alkyl-10H-phenothiazin-3-yl)ethanols and their butanoates by enantiomer-selective acylation of racemic alcohols with the lipase from Pseudomonas fluorescens (L-AK) or/and by methanolysis of the corresponding racemic esters with lipase B from Candida antarctica (CaL-B) is described. The absolute configuration of the enantiomerically pure enantiomers was determined by X-ray crystallography. (C) 2010 Elsevier Ltd. All rights reserved.