2-chloro-3-((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)oxy)naphthalene-1,4-dione | 1025688-35-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-chloro-3-((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)oxy)naphthalene-1,4-dione
• CAS: 1025688-35-0
• 化学式: C₃₀H₃₃ClO₈S₇
• 分子量: 781.502
• InChiKey: GTTPOSLLNXXDNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.84
• 重原子数：
  46.0
• 可旋转键数：
  20.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  89.52
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为产物：
  描述：

  2,3-二氯-1,4-萘醌 、 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-pentaoxaheptadecan-1-ol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以48%的产率得到2-chloro-3-((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)oxy)naphthalene-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