(((((1,4-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(anthracene-9-carboxylate) | 155850-61-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: (((((1,4-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(anthracene-9-carboxylate)
• CAS: 155850-61-6
• 化学式: C₄₈H₄₆O₁₀
• 分子量: 782.887
• InChiKey: ZWGYKJMKKFXSSL-UHFFFAOYSA-N

物化性质

• 沸点：
  895.9±65.0 °C(predicted)
• 密度：
  1.244±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.84
• 重原子数：
  58.0
• 可旋转键数：
  22.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  107.98
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  1,1-[1,4-phenylenebis(methylene)]bis-4,4'-pyridylpiridinium bis(hexafluorophosphate) 、 (((((1,4-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(anthracene-9-carboxylate) 生成
  参考文献：
  名称：

  Photoactive [2]rotaxanes formed by multiple π-stacking

  摘要：

  A [2]rotaxane has been synthesized having an anthracenyl ''stopper'' at each end of a flexible polyether thread'' which folds to facilitate pi-stacking between the centralized cyclophane and the anthracene moieties, forming a five-membered pi-stack.

  DOI：

  10.1016/s0040-4039(00)76735-9
• 作为产物：
  描述：

  9-蒽甲酰氯 、 1,4-bis-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)benzene 以 乙腈 为溶剂， 以45%的产率得到(((((1,4-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(anthracene-9-carboxylate)
  参考文献：
  名称：

  Photoactive [2]rotaxanes formed by multiple π-stacking

  摘要：

  A [2]rotaxane has been synthesized having an anthracenyl ''stopper'' at each end of a flexible polyether thread'' which folds to facilitate pi-stacking between the centralized cyclophane and the anthracene moieties, forming a five-membered pi-stack.

  DOI：

  10.1016/s0040-4039(00)76735-9

文献信息

• Photoactive [2]Rotaxanes: Structure and Photophysical Properties of Anthracene- and Ferrocene-Stoppered [2]Rotaxanes
  作者：Andrew C. Benniston、Anthony Harriman、Vincent M. Lynch

  DOI：10.1021/ja00124a010

  日期：1995.5

  The structures of several one- and two-station [2]rotaxanes have been probed in both solid and solution phases. It is shown that the cyclophane, comprising two 4,4'-bipyridinium dications Linked via 1,4-xylyl groups, resides preferentially over a dialkoxybenzene subunit incorporated into the ''string''. The terminal stoppers, anthracene or ferrocene subunits, associate with the exterior of the cyclophane, via pi-stacking, so as to form closed conformations. Excitation into the anthracene stoppers is followed by rapid, but reversible, electron transfer to the cyclophane. Direct excitation into the charge-transfer absorption band results in formation of an intimate radical ion pair in which an electron has been transferred from the central dialkoxybenzene donor to the cyclophane acceptor. Rapid charge recombination occurs but can be partially intercepted by hole transfer to an appended ferrocene stopper. In this latter case, the ground state is restored by relatively slow electron transfer from the reduced cyclophane to the terminal ferrocenium cation. It is proposed that the closed conformation unwinds subsequent to this second electron-transfer step in order to minimize electrostatic repulsion. To some extent, therefore, the rates of electron transfer are controlled by conformational exchange.