2-[2-[2-[2-[[2-[4,5-Bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate | 1240016-60-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[2-[2-[2-[[2-[4,5-Bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
• 英文别名: 2-[2-[2-[2-[[2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
• CAS: 1240016-60-7
• 化学式: C₃₃H₅₀O₆S₈
• 分子量: 799.284
• InChiKey: CMZHZPTZJBKEPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  47
• 可旋转键数：
  27
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  257
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  2-[2-[2-[2-[[2-[4,5-Bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate 、 4，5-二甲基-1，2-苯二胺 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 2-N-[2-[2-[2-[2-[[2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethyl]-4,5-dimethylbenzene-1,2-diamine
  参考文献：
  名称：

  Tetrathiafulvalene–flavin dyads: electron transfer promoted by metal cations

  摘要：

  Tetrathiafulvalene-flavin dyads 1 and 2 are reported. Both absorption and ESR spectral studies show that the intramolecular electron transfer occurs from TTF to Flavin units in dyads 1 and 2 in the presence of Pb2+/Sc3+. But, the electron transfer is more efficient for dyad 1 in the presence of Pb2+/Sc3+. Electrochemical studies manifest that coordination of dyads 1 and 2 with Pb2+/Sc3+ play an important role in facilitating the electron transfer within dyads 1 and 2. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.095
• 作为产物：
  描述：

  2-(2-(2-(2-((4',5'-bis(hexylthio)-[2,2'-bi(1,3-dithiolylidene)]-4-yl)thio)ethoxy)ethoxy)ethoxy)ethan-1-ol 、 对甲苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以84%的产率得到2-[2-[2-[2-[[2-[4,5-Bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  Tetrathiafulvalene–flavin dyads: electron transfer promoted by metal cations

  摘要：

  Tetrathiafulvalene-flavin dyads 1 and 2 are reported. Both absorption and ESR spectral studies show that the intramolecular electron transfer occurs from TTF to Flavin units in dyads 1 and 2 in the presence of Pb2+/Sc3+. But, the electron transfer is more efficient for dyad 1 in the presence of Pb2+/Sc3+. Electrochemical studies manifest that coordination of dyads 1 and 2 with Pb2+/Sc3+ play an important role in facilitating the electron transfer within dyads 1 and 2. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.095