6-amino-2-ethyl-7-morpholin-4-yl-4H-1,4-benzothiazin-3-one | 1232541-33-1

• 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: 6-amino-2-ethyl-7-morpholin-4-yl-4H-1,4-benzothiazin-3-one
• CAS: 1232541-33-1
• 化学式: C₁₄H₁₉N₃O₂S
• 分子量: 293.39
• InChiKey: OOUFDELEBBYXPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 2-((2,4-diamino-5-morpholinophenyl)thio)butanoate 在 溶剂黄146 作用下， 反应 0.17h， 生成 6-amino-2-ethyl-7-morpholin-4-yl-4H-1,4-benzothiazin-3-one
  参考文献：
  名称：

  Dynamic Covalent Chemistry of Disulfides Offers a Highly Efficient Synthesis of Diverse Benzofused Nitrogen−Sulfur Heterocycles in One Pot

  摘要：

  The thiol-disulfide dynamic interchange reaction mediated by 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) was extensively studied. By this synthetic method sulfides can be prepared successfully within seconds in high yields at room temperature from stable and readily available disulfides and an alkylating agent. The method was further demonstrated to efficiently produce benzofused nitrogen-sulfur heterocycles with high skeletal diversity in a one-pot process.

  DOI：

  10.1021/cc100042v

文献信息

• Dynamic Covalent Chemistry of Disulfides Offers a Highly Efficient Synthesis of Diverse Benzofused Nitrogen−Sulfur Heterocycles in One Pot
  作者：Ning Zhu、Fa Zhang、Gang Liu

  DOI：10.1021/cc100042v

  日期：2010.7.12

  The thiol-disulfide dynamic interchange reaction mediated by 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) was extensively studied. By this synthetic method sulfides can be prepared successfully within seconds in high yields at room temperature from stable and readily available disulfides and an alkylating agent. The method was further demonstrated to efficiently produce benzofused nitrogen-sulfur heterocycles with high skeletal diversity in a one-pot process.