1,1'-((5-(2-(6-(but-1-en-2-yl)naphthalen-2-yl)ethyl)-1,3-phenylene)bis(tridecane-13,1-diyl))bis(adamantane) | 1220887-44-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,1'-((5-(2-(6-(but-1-en-2-yl)naphthalen-2-yl)ethyl)-1,3-phenylene)bis(tridecane-13,1-diyl))bis(adamantane)
• CAS: 1220887-44-4
• 化学式: C₅₅H₇₆O₁₃
• 分子量: 945.201
• InChiKey: ZDXMKQRPYGMKSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.03
• 重原子数：
  68.0
• 可旋转键数：
  32.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  127.83
• 氢给体数：
  0.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  1,1'-((5-(2-(6-(but-1-en-2-yl)naphthalen-2-yl)ethyl)-1,3-phenylene)bis(tridecane-13,1-diyl))bis(adamantane) 在 sodium methylate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以100%的产率得到6-[[3,5-Bis[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]naphthalene-2-carboxylic acid
  参考文献：
  名称：

  Expression of Sensitized Eu³⁺ Luminescence at a Multivalent Interface

  摘要：

  Assembly of a mixture of guest-functionalized antenna and Eu3+-complexed ligand molecules in a patterned fashion onto a receptor surface provides efficient localized sensitized emission. Coordination of a carboxylate group of the antenna to the Eu3+ center and noncovalent anchoring of both components to the receptor surface appeared to be prerequisites for efficient energy transfer. A Job plot at the surface confirmed that coordination of the antenna to the Eu3+ center occurs in a 1:1 fashion. The efficiency of this intramolecular binding process is promoted by the high effective concentration of both complementary moieties at the surface. The system constitutes therefore an example supramolecular expression of a complex consisting of several different building blocks which signals its own correct formation.

  DOI：

  10.1021/ja904747p
• 作为产物：
  描述：

  1,1'-((((((((((5-(bromomethyl)-1,3-phenylene)bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(adamantane) 、 6-羟基-2-萘甲酯 在 18-冠醚-6 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 以70%的产率得到1,1'-((5-(2-(6-(but-1-en-2-yl)naphthalen-2-yl)ethyl)-1,3-phenylene)bis(tridecane-13,1-diyl))bis(adamantane)
  参考文献：
  名称：

  Expression of Sensitized Eu³⁺ Luminescence at a Multivalent Interface

  摘要：

  Assembly of a mixture of guest-functionalized antenna and Eu3+-complexed ligand molecules in a patterned fashion onto a receptor surface provides efficient localized sensitized emission. Coordination of a carboxylate group of the antenna to the Eu3+ center and noncovalent anchoring of both components to the receptor surface appeared to be prerequisites for efficient energy transfer. A Job plot at the surface confirmed that coordination of the antenna to the Eu3+ center occurs in a 1:1 fashion. The efficiency of this intramolecular binding process is promoted by the high effective concentration of both complementary moieties at the surface. The system constitutes therefore an example supramolecular expression of a complex consisting of several different building blocks which signals its own correct formation.

  DOI：

  10.1021/ja904747p