2,3,5-trichloro-6-((17-((2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl)thio)-3,6,9,12,15-pentaoxaheptadecyl)thio)cyclohexa-2,5-diene-1,4-dione | 1025688-28-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,5-trichloro-6-((17-((2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl)thio)-3,6,9,12,15-pentaoxaheptadecyl)thio)cyclohexa-2,5-diene-1,4-dione
• CAS: 1025688-28-1
• 化学式: C₂₆H₂₉Cl₃O₇S₈
• 分子量: 816.399
• InChiKey: PNWQUFFAHHSOMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.32
• 重原子数：
  44.0
• 可旋转键数：
  20.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  80.29
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为产物：
  描述：

  17-((2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl)thio)-3,6,9,12,15-pentaoxaheptadecane-1-thiol 、 四氯苯醌 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 0.5h， 以67 mg的产率得到2,3,5-trichloro-6-((17-((2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl)thio)-3,6,9,12,15-pentaoxaheptadecyl)thio)cyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  New Substituted Tetrathiafulvalene−Quinone Dyads: The Influences of Electron Accepting Abilities of Quinone Units on the Metal Ion-Promoted Electron-Transfer Processes

  摘要：

  The metal ion-promoted electron transfer Occurs to all new dyads 1, 2, 3, and 4, even one of them, dyad 4, which has a rather weak electron acceptor unit. The results also indicate that the metal ion-promoted electron transfer within the dyads is influenced by the electron accepting abilities of quinone units; dyad 2 with the strongest electron acceptor among the four dyads shows the strongest absorption and ESR signals attributed to TTF(.+) in the presence of metal ions.

  DOI：

  10.1021/jo800581t