4,4'-Dithiobis(5-carbomethoxy-1,3-dithiole-2-thione)

• 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: 4,4'-Dithiobis(5-carbomethoxy-1,3-dithiole-2-thione)
• 英文别名: Methyl 5-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)disulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate
• 化学式: C₁₀H₆O₄S₈
• 分子量: 446.683
• InChiKey: TVTJNNDXJSXEPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  269
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  methyl 5-mercapto-2-thioxo-1,3-dithiole-4-carboxylate 在 碘 、 sodium methylate 作用下， 生成 4,4'-Dithiobis(5-carbomethoxy-1,3-dithiole-2-thione)
  参考文献：
  名称：

  Synthesis and properties of new bridged tetrathiafulvalenes

  摘要：

  The condensation reaction of dithiole phosphonium perchlorates 17 and 18a-c with 2-ethylselenodithiolium tetrafluoroborate 16 in the presence of triethylamine was employed for the high-yield synthesis of four new donors 7a-c, 9 of the tetrathiafulvalene series. The carbomethoxy groups of 7a-c were removed by basic hydrolysis followed by decarboxylation to give 8a-c. Electrochemical studies for seven new TTFs were carried out. An unusual effect resulting in an decrease of the first oxidation potential was observed for 7b. Some properties of the starting 4-mercapto-5-carbomethoxy-1,3-dithiole-2-thione (10) are reported.

  DOI：

  10.1021/jo00058a012