N-(2-benzoylhydrazinecarbonothioyl)-2-(1,3-dioxoisoindolin-2-yl)propanamide | 1355199-18-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: N-(2-benzoylhydrazinecarbonothioyl)-2-(1,3-dioxoisoindolin-2-yl)propanamide
• CAS: 1355199-18-6
• 化学式: C₁₉H₁₆N₄O₄S
• 分子量: 396.426
• InChiKey: JHTKCGHVFYQYCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  107.61
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-(2-benzoylhydrazinecarbonothioyl)-2-(1,3-dioxoisoindolin-2-yl)propanamide 在 polyphosphoric acid 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 以82%的产率得到2-(2-oxo-2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)propan-2-yl)isoindoline-1,3-dione
  参考文献：
  名称：

  Utility of Phthalimidoacyl Isothiocyanate in Synthesis of Quinazolines, Benzoxazoles, Benzimidazoles, 1,2,4-Triazoles, and Oxatriazepines

  摘要：

  Phthalimidoacyl isothiocyanates 1a,b participated in a wide range of addition-cyclization reactions. Simultaneous or subsequent cyclization of the obtained adducts gave derivatives of quinazoline, benzoxazole, benzimidazole, 1,2,4-triazole, and oxatriazepine. The structures of all the products were confirmed by microanalytical and spectroscopic data.

  DOI：

  10.1080/10426507.2011.597804
• 作为产物：
  描述：

  2-甲基邻苯二甲酰基乙酰氯 以 乙腈 为溶剂， 反应 0.5h， 生成 N-(2-benzoylhydrazinecarbonothioyl)-2-(1,3-dioxoisoindolin-2-yl)propanamide
  参考文献：
  名称：

  Utility of Phthalimidoacyl Isothiocyanate in Synthesis of Quinazolines, Benzoxazoles, Benzimidazoles, 1,2,4-Triazoles, and Oxatriazepines

  摘要：

  Phthalimidoacyl isothiocyanates 1a,b participated in a wide range of addition-cyclization reactions. Simultaneous or subsequent cyclization of the obtained adducts gave derivatives of quinazoline, benzoxazole, benzimidazole, 1,2,4-triazole, and oxatriazepine. The structures of all the products were confirmed by microanalytical and spectroscopic data.

  DOI：

  10.1080/10426507.2011.597804