2-p-methylbenzoylmethylene-2H-1,4-benzothiazin-3(4H)-one | 64393-76-6

• 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-p-methylbenzoylmethylene-2H-1,4-benzothiazin-3(4H)-one
• 英文别名: 2-(2-Oxo-2-p-tolyl-ethylidene)-4H-benzo[1,4]thiazin-3-one；(2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]-4H-1,4-benzothiazin-3-one
• CAS: 64393-76-6
• 化学式: C₁₇H₁₃NO₂S
• 分子量: 295.362
• InChiKey: RMKPITNNXIMAJW-MHWRWJLKSA-N

物化性质

• 熔点：
  183-184 °C(Solv: isopropanol (67-63-0))
• 沸点：
  497.5±45.0 °C(Predicted)
• 密度：
  1.335±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  71.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氨基苯硫醇 、 以 乙醇 为溶剂， 以48%的产率得到2-p-methylbenzoylmethylene-2H-1,4-benzothiazin-3(4H)-one
  参考文献：
  名称：

  Tetracarbonyl Systems: VII. Reactions of 1,3,4,6-Tetracarbonyl Compounds with o-Aminothiophenol in the Synthesis of Regioisomeric 3(2)-Aroylmethylene-1,4-benzothiazin-2(3)ones

  摘要：

  In reaction of 1,6-diaryl-3,4-dihydroxy-2,4-hexadiene-1,6-diones with o-aminothiophenol (3Z)-3-aroylmethylene-3,4-dihydro-2H-1,4-benzothiazin-2-ones were obtained in a preparative yield. In solution of the latter compounds an enamine-imine tautomerism was observed. In reaction of ethyl esters or an-fides of 2-substituted 6-aryl-3,4-dihydroxy-6-oxo-2,4-hexadienoic acids with the o-aminothiophenol regioisomeric 2-aroylmethylene-2H-1,4-benzothiazin-3(4H)-ones were formed.

  DOI：

  10.1023/b:rujo.0000003166.58756.fa

文献信息

• Tetracarbonyl Systems: VII. Reactions of 1,3,4,6-Tetracarbonyl Compounds with o-Aminothiophenol in the Synthesis of Regioisomeric 3(2)-Aroylmethylene-1,4-benzothiazin-2(3)ones
  作者：V. O. Kozminykh、N. M. Igidov、E. N. Kozminykh

  DOI：10.1023/b:rujo.0000003166.58756.fa

  日期：2003.6

  In reaction of 1,6-diaryl-3,4-dihydroxy-2,4-hexadiene-1,6-diones with o-aminothiophenol (3Z)-3-aroylmethylene-3,4-dihydro-2H-1,4-benzothiazin-2-ones were obtained in a preparative yield. In solution of the latter compounds an enamine-imine tautomerism was observed. In reaction of ethyl esters or an-fides of 2-substituted 6-aryl-3,4-dihydroxy-6-oxo-2,4-hexadienoic acids with the o-aminothiophenol regioisomeric 2-aroylmethylene-2H-1,4-benzothiazin-3(4H)-ones were formed.