diethyl 2-[2-(thien-2-yl)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylate | 1025026-82-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: diethyl 2-[2-(thien-2-yl)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylate
• CAS: 1025026-82-7
• 化学式: C₁₅H₁₄O₄S₄
• 分子量: 386.538
• InChiKey: NTVUPZZWQKXBCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.13
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  diethyl 2-[2-(thien-2-yl)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylate 在 乙醇 、 sodium 作用下， 以77.13%的产率得到diethyl 2-[2-mercapto-2-(thien-2-yl)-ethyl]-1,3-dithiole-4,5-dicarboxylate
  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：

  2-乙酰基噻吩 在 diphosphorus pentasulfide 、 potassium tert-butylate 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 8.0h， 生成 diethyl 2-[2-(thien-2-yl)-2-thioxoethylidene]-1,3-dithiole-4,5-dicarboxylate
  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