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-amine | 1025688-32-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• 英文名称: 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-amine
• CAS: 1025688-32-7
• 化学式: C₂₀H₃₁NO₅S₇
• 分子量: 589.932
• InChiKey: GYYNUWOETJTDQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  33.0
• 可旋转键数：
  18.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  72.17
• 氢给体数：
  1.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  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-pentaoxaheptadecan-1-amine 、 四氯苯醌 以 四氢呋喃 为溶剂， 反应 0.5h， 以0.20 g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)amino)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
• 作为产物：
  描述：

  1-azido-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 在 三苯基膦 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 10.0h， 生成 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-amine
  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

文献信息

• Linear and Cyclic Tetrathiafulvalene–Naphthalenediimide Donor–Acceptor Molecules: Metal Ions-Promoted Electron Transfer
  作者：Luxi Tan、Guanxin Zhang、Deqing Zhang、Daoben Zhu

  DOI：10.1021/jo201802p

  日期：2011.11.4

  2, 3, and 4 were synthesized and studied in the presence of metal ions. Both absorption and electron spin resonance spectroscopic studies clearly indicate that electron transfer occurs from TTF to the NDI unit in the presence of metal ions (Pb2+ and Sc3+) for linear compounds 1 and 2. The mechanism based on the metal ion coordination is proposed for the electron transfer within 1 and 2 after the addition

  三个线性和一种环状硫富瓦烯-1,4,5,8-萘二酰亚胺（TTF-NDI）化合物1，2，3，和4的合成和在金属离子存在下的研究。吸收光谱和电子自旋共振光谱研究都清楚地表明，对于线性化合物1和2，在存在金属离子（Pb 2+和Sc 3+）的情况下，电子从TTF转移到NDI单元。提出了基于金属离子配位的机理，用于在添加金属离子后在1和2内进行电子转移。化合物3由于环烷骨架，具有分子内电荷转移吸收能力。有趣的是，在加入Sc 3+或Pb 2+之后，分子内电子转移也发生了3次。