2-[2-[2-[2-[4-[tris(4-tert-butylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylphenylsulfonate | 264279-29-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-[2-[2-[2-[4-[tris(4-tert-butylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylphenylsulfonate
• 英文别名: 2-[2-[2-[2-[4-[Tris(4-tert-butylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
• CAS: 264279-29-0
• 化学式: C₅₂H₆₆O₇S
• 分子量: 835.158
• InChiKey: OUTVANZXFHFVPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  60
• 可旋转键数：
  22
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  88.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  对苯二酚 、 2-[2-[2-[2-[4-[tris(4-tert-butylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylphenylsulfonate 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以69%的产率得到1,4-bis[2-[2-[2-[2-[4-[tris(4-tert-butylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
  参考文献：
  名称：

  The Electrochemically-Driven Decomplexation/Recomplexation of Inclusion Adducts of Ferrocene Derivatives with an Electron-Accepting Receptor

  摘要：

  The tetracationic cyclophane, cyclobis(paraquat-4,4'-biphenylene), binds 1,1'-disubstituted ferrocene-based polyethers as a result of (i) [pi...pi] stacking between the pi-electron-deficient bipyridinium units and the pi-electron-rich cyclopentadienyl rings and (ii) [C-H ... O] hydrogen bonds between the alpha-bipyridinium hydrogen atoms and the polyether oxygen atoms. However, even the presence of a bulky tetraarylmethane group-which is too large to thread through the cavity of the cyclophane host-at the end of each of the two polyether substituents of the ferrocene-containing guest does not discourage adduct formation of the inclusion type. Thus, in these adducts, the ferrocene unit of the guest is located inside the cavity of the host with its two polyether chains protruding outward from the same side of the host. The alternative pseudorotaxane geometry is not observed in solutions of these 1:i adducts. The host-guest adducts display absorption bands in the visible spectral region, characteristic of charge-transfer interactions. In the case of one of these adducts, reversible decomplexation/recomplexation takes place upon electrochemical oxidation/reduction of the ferrocene-based unit or upon reduction/oxidation of the tetracationic cyclophane.

  DOI：

  10.1021/jo991467z
• 作为产物：
  描述：

  四乙二醇单对甲苯磺酸酯 在 4-二甲氨基吡啶 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 24.0h， 生成 2-[2-[2-[2-[4-[tris(4-tert-butylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylphenylsulfonate
  参考文献：
  名称：

  The Electrochemically-Driven Decomplexation/Recomplexation of Inclusion Adducts of Ferrocene Derivatives with an Electron-Accepting Receptor

  摘要：

  The tetracationic cyclophane, cyclobis(paraquat-4,4'-biphenylene), binds 1,1'-disubstituted ferrocene-based polyethers as a result of (i) [pi...pi] stacking between the pi-electron-deficient bipyridinium units and the pi-electron-rich cyclopentadienyl rings and (ii) [C-H ... O] hydrogen bonds between the alpha-bipyridinium hydrogen atoms and the polyether oxygen atoms. However, even the presence of a bulky tetraarylmethane group-which is too large to thread through the cavity of the cyclophane host-at the end of each of the two polyether substituents of the ferrocene-containing guest does not discourage adduct formation of the inclusion type. Thus, in these adducts, the ferrocene unit of the guest is located inside the cavity of the host with its two polyether chains protruding outward from the same side of the host. The alternative pseudorotaxane geometry is not observed in solutions of these 1:i adducts. The host-guest adducts display absorption bands in the visible spectral region, characteristic of charge-transfer interactions. In the case of one of these adducts, reversible decomplexation/recomplexation takes place upon electrochemical oxidation/reduction of the ferrocene-based unit or upon reduction/oxidation of the tetracationic cyclophane.

  DOI：

  10.1021/jo991467z

文献信息

• The Electrochemically-Driven Decomplexation/Recomplexation of Inclusion Adducts of Ferrocene Derivatives with an Electron-Accepting Receptor
  作者：Vincenzo Balzani、Jan Becher、Alberto Credi、Mogens B. Nielsen、Françisco M. Raymo、J. Fraser Stoddart、Anna Maria Talarico、Margherita Venturi

  DOI：10.1021/jo991467z

  日期：2000.4.1

  The tetracationic cyclophane, cyclobis(paraquat-4,4'-biphenylene), binds 1,1'-disubstituted ferrocene-based polyethers as a result of (i) [pi...pi] stacking between the pi-electron-deficient bipyridinium units and the pi-electron-rich cyclopentadienyl rings and (ii) [C-H ... O] hydrogen bonds between the alpha-bipyridinium hydrogen atoms and the polyether oxygen atoms. However, even the presence of a bulky tetraarylmethane group-which is too large to thread through the cavity of the cyclophane host-at the end of each of the two polyether substituents of the ferrocene-containing guest does not discourage adduct formation of the inclusion type. Thus, in these adducts, the ferrocene unit of the guest is located inside the cavity of the host with its two polyether chains protruding outward from the same side of the host. The alternative pseudorotaxane geometry is not observed in solutions of these 1:i adducts. The host-guest adducts display absorption bands in the visible spectral region, characteristic of charge-transfer interactions. In the case of one of these adducts, reversible decomplexation/recomplexation takes place upon electrochemical oxidation/reduction of the ferrocene-based unit or upon reduction/oxidation of the tetracationic cyclophane.