1-phenyl-3-imino-2-thioxopyrroline-4,5-dicarboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 1-phenyl-3-imino-2-thioxopyrroline-4,5-dicarboxylic acid
• 英文别名: 4-Imino-1-phenyl-5-sulfanylidenepyrrole-2,3-dicarboxylic acid
• 化学式: C₁₂H₈N₂O₄S
• 分子量: 276.273
• InChiKey: WTNXHKAUMGDLPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  134
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  丁炔二酸 、 1-氰基硫代甲酰苯胺 在 三乙胺 作用下， 以 乙醚 、 苯 为溶剂， 反应 2.0h， 以40%的产率得到1-phenyl-3-imino-2-thioxopyrroline-4,5-dicarboxylic acid
  参考文献：
  名称：

  SOME RING CLOSURE REACTIONS WITH CYANOTHIOFORMAMIDES: NEW ROUTE FOR THE SYNTHESIS OF (IMIDAZOLIDINE, OXAZOLIDINE & PYRROLINE)-IMINOTHIONES, BENZOTHIAZOLOQUINAZOLINONES AND IMIDAZOQUINOXALINES

  摘要：

  Cyanothioformamides were reacted with isocyanates, isothiocyanates, aldehydes, acetylenedicarboxylic acid and anthranilic acids to produce imidazolidines, oxazolidines pyrroline, quinazolinones and benzothiazoloquinazolinones, respectively. Interaction of imidazolidineimino(thiones and dithiones) with o-phenylenediamines gave rise to imidazoquinoxalines and imidazaquinoxalinethiones, respectively.

  DOI：

  10.1080/10426500008043677

文献信息

• SOME RING CLOSURE REACTIONS WITH CYANOTHIOFORMAMIDES: NEW ROUTE FOR THE SYNTHESIS OF (IMIDAZOLIDINE, OXAZOLIDINE & PYRROLINE)-IMINOTHIONES, BENZOTHIAZOLOQUINAZOLINONES AND IMIDAZOQUINOXALINES
  作者：A.M.Sh. El-Sharief、A. A. Atalla、A. M. Hussein、M. S. A. El-gaby、A. A. Hassan

  DOI：10.1080/10426500008043677

  日期：2000.5.1

  Cyanothioformamides were reacted with isocyanates, isothiocyanates, aldehydes, acetylenedicarboxylic acid and anthranilic acids to produce imidazolidines, oxazolidines pyrroline, quinazolinones and benzothiazoloquinazolinones, respectively. Interaction of imidazolidineimino(thiones and dithiones) with o-phenylenediamines gave rise to imidazoquinoxalines and imidazaquinoxalinethiones, respectively.