2-[2-(2-furyl)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylic acid | 1025026-83-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 2-[2-(2-furyl)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylic acid
• CAS: 1025026-83-8
• 化学式: C₁₁H₆O₅S₃
• 分子量: 314.364
• InChiKey: UIKGPHXEOMPOMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.74
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-[2-(2-furyl)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylic acid 在 溴 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以80.42%的产率得到2-[1-bromo-2-(2-furyl)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylic acid
  参考文献：
  名称：

  Thiafulvenes and Thiafulvalenes in Organic Chemistry: Synthesis and Study its Behavior towards Some Chemical Reagents

  摘要：

  Trithiafulvenes were prepared through cycloaddition of 3-thioxo-1,2-dithioles to several electrophilic alkenes and alkynes. Treatments of the product with phenylhydrazine and malononitrile afforded the hydrazone and the dinitrilene derivatives respectively. The bromination and subsequent treatment with KCN and malononitrile afforded the diene derivative. The aniline derivative was also obtained by treatment with chloroaniline.

  DOI：

  10.1080/10426500701407730
• 作为产物：
  描述：

  3,3-dimercapto-1-(2-furyl)-2-propen-1-one 在 phosphorus pentsulfide 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 8.0h， 生成 2-[2-(2-furyl)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylic acid
  参考文献：
  名称：

  Thiafulvenes and Thiafulvalenes in Organic Chemistry: Synthesis and Study its Behavior towards Some Chemical Reagents

  摘要：

  Trithiafulvenes were prepared through cycloaddition of 3-thioxo-1,2-dithioles to several electrophilic alkenes and alkynes. Treatments of the product with phenylhydrazine and malononitrile afforded the hydrazone and the dinitrilene derivatives respectively. The bromination and subsequent treatment with KCN and malononitrile afforded the diene derivative. The aniline derivative was also obtained by treatment with chloroaniline.

  DOI：

  10.1080/10426500701407730