5-[3-[[5-Carboxy-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]propylsulfanyl]-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-[3-[[5-Carboxy-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]propylsulfanyl]-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylic acid
• 化学式: C₂₁H₂₀O₄S₁₀
• 分子量: 657.047
• InChiKey: AXBKERUCIXJKSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  328
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  5-[3-[[5-Carboxy-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]propylsulfanyl]-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylic acid 以 二乙二醇二甲醚 为溶剂， 反应 0.33h， 生成 2-[4-[3-[[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]propylsulfanyl]-1,3-dithiol-2-ylidene]-4,5-dimethyl-1,3-dithiole
  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