2-Methoxy-2H-1,4-benzothiazin-3(4H)-one | 163726-25-8

• 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: 2-Methoxy-2H-1,4-benzothiazin-3(4H)-one
• 英文别名: 2-methoxy-4H-1,4-benzothiazin-3-one
• CAS: 163726-25-8
• 化学式: C₉H₉NO₂S
• 分子量: 195.242
• InChiKey: LZTXPVUBINUFST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲醇 、 (2H)1,4-苯并噻嗪-3(4H)-酮 在 triethylamine tris(hydrogen fluoride) 作用下， 以13%的产率得到2-Methoxy-2H-1,4-benzothiazin-3(4H)-one
  参考文献：
  名称：

  Electrolytic Partial Fluorination of Organic Compounds. 33. Regioselective Anodic Monofluorination of alpha-Phenylsulfenyl Lactams and Sulfur-Containing Nitrogen Heterocycles.

  摘要：

  Anodic monofluorination of a variety of nitrogen heterocycles has been investigated in order to ascertain the scope and limitations of the anodic monofluorination method in the synthesis of monofluorinated nitrogen heterocycles. Electrolytic monofluorination of alpha-(phenylsulfenyl)lactams proceeded effectively, and the regiochemistry and efficiency of the reaction were greatly dependent on the molecular structure (ring size, substitution on the nitrogen atom, etc.) of the lactams. The high yields of monofluorinated lactams observed here are of great synthetic value because the phenylsulfenyl group is known to be easily removed oxidatively and/or reductively.

  DOI：

  10.3891/acta.chem.scand.53-0887

文献信息

• Zahn, Chemische Berichte, 1923, vol. 56, p. 584
  作者：Zahn

  DOI：——

  日期：——