8-Methyl-2H-1,4-benzothiazine-3(4H)-one | 139605-34-8

• 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: 8-Methyl-2H-1,4-benzothiazine-3(4H)-one
• 英文别名: 8-methyl-4H-1,4-benzothiazin-3-one
• CAS: 139605-34-8
• 化学式: C₉H₉NOS
• 分子量: 179.243
• InChiKey: DJUGCLPODMCLDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-碘-3-甲基苯胺 、 巯基乙酸甲酯 在 copper(l) iodide 、 (1R,2R)-(-)-N,N'-二甲基-1,2-环己二胺 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 以71%的产率得到8-Methyl-2H-1,4-benzothiazine-3(4H)-one
  参考文献：
  名称：

  Facile synthesis of 1,4-benzothiazin-3-ones from Cu-catalyzed coupling of 2-iodoanilines and 2-mercaptoacetate

  摘要：

  A novel synthesis of 1,4-benzothiazin-3-ones was developed from Cu-catalyzed coupling of readily available substituted 2-iodoanilines with 2-mercaptoacetate. The new method offers clear advantages over existing approaches for its one-step simple operation, wider reaction scope, and moderate to excellent isolated yields. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.059

文献信息

• Facile synthesis of 1,4-benzothiazin-3-ones from Cu-catalyzed coupling of 2-iodoanilines and 2-mercaptoacetate
  作者：Wei-Sheng Huang、Rongsong Xu、Rory Dodd、William C. Shakespeare

  DOI：10.1016/j.tetlet.2013.07.059

  日期：2013.9

  A novel synthesis of 1,4-benzothiazin-3-ones was developed from Cu-catalyzed coupling of readily available substituted 2-iodoanilines with 2-mercaptoacetate. The new method offers clear advantages over existing approaches for its one-step simple operation, wider reaction scope, and moderate to excellent isolated yields. (C) 2013 Elsevier Ltd. All rights reserved.