2-[2-[2-[2-[2-[2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate | 919512-73-5

• 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-[2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
• 英文别名: 2-[2-[2-[2-[2-[2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
• CAS: 919512-73-5
• 化学式: C₂₇H₃₈O₈S₈
• 分子量: 747.122
• InChiKey: NGFUWNFLKQUZDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  43
• 可旋转键数：
  23
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  275
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  2-[2-[2-[2-[2-[2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate 在 sodium azide 、 三苯基膦 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 、 N,N-二甲基甲酰胺 为溶剂， 生成 7-[2-[2-[2-[2-[2-[2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-18-(2-ethylhexyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  A new tetrathiafulvalene–perylene diimide dyad with a pentaoxa-heptadecane chain as the spacer: metal-ions-induced aggregation

  摘要：

  A new TTF-perylene diimide dyad 1 with a pentaoxa-heptadecane chain as the spacer was synthesized and characterized. Absorption and fluorescent spectral studies of dyad 1 and reference compounds 2 and 3 indicate that aggregation of dyad 1 and compound 2 occurs in the presence of metal ions. Such metal-ions-induced aggregation is likely due to the synergic action of the coordination of metal ions with the oligoethylene glycol unit and the pi-pi stacking of the perylene diimide unit. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.10.083
• 作为产物：
  描述：

  六乙二醇双-P二对甲苯磺酸 、 4-(2-cyanoethylthio)-4',5'-bis(methylthio)tetrathiafulvalene 在 cesium hydroxide 作用下， 生成 2-[2-[2-[2-[2-[2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  A new tetrathiafulvalene–perylene diimide dyad with a pentaoxa-heptadecane chain as the spacer: metal-ions-induced aggregation

  摘要：

  A new TTF-perylene diimide dyad 1 with a pentaoxa-heptadecane chain as the spacer was synthesized and characterized. Absorption and fluorescent spectral studies of dyad 1 and reference compounds 2 and 3 indicate that aggregation of dyad 1 and compound 2 occurs in the presence of metal ions. Such metal-ions-induced aggregation is likely due to the synergic action of the coordination of metal ions with the oligoethylene glycol unit and the pi-pi stacking of the perylene diimide unit. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.10.083

文献信息

• A new tetrathiafulvalene–perylene diimide dyad with a pentaoxa-heptadecane chain as the spacer: metal-ions-induced aggregation
  作者：Xiaoping Zheng、Deqing Zhang、Daoben Zhu

  DOI：10.1016/j.tetlet.2006.10.083

  日期：2006.12

  A new TTF-perylene diimide dyad 1 with a pentaoxa-heptadecane chain as the spacer was synthesized and characterized. Absorption and fluorescent spectral studies of dyad 1 and reference compounds 2 and 3 indicate that aggregation of dyad 1 and compound 2 occurs in the presence of metal ions. Such metal-ions-induced aggregation is likely due to the synergic action of the coordination of metal ions with the oligoethylene glycol unit and the pi-pi stacking of the perylene diimide unit. (c) 2006 Elsevier Ltd. All rights reserved.