Methyl 4-[3,5-bis(4-methoxycarbonylphenyl)-7-[4-[2-(1,10-phenanthrolin-5-yl)ethynyl]phenyl]-1-adamantyl]benzoate | 312329-53-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: Methyl 4-[3,5-bis(4-methoxycarbonylphenyl)-7-[4-[2-(1,10-phenanthrolin-5-yl)ethynyl]phenyl]-1-adamantyl]benzoate
• CAS: 312329-53-6
• 化学式: C₅₄H₄₄N₂O₆
• 分子量: 816.953
• InChiKey: YZWXIYNDAYHDKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  62
• 可旋转键数：
  12
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Methyl 4-[3,5-bis(4-methoxycarbonylphenyl)-7-[4-[2-(1,10-phenanthrolin-5-yl)ethynyl]phenyl]-1-adamantyl]benzoate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以90%的产率得到4-[3,5-Bis(4-carboxyphenyl)-7-[4-[2-(1,10-phenanthrolin-5-yl)ethynyl]phenyl]-1-adamantyl]benzoic acid
  参考文献：
  名称：

  Synthesis of a molecular tripod to anchor molecular coordination compounds to semiconductor nanoparticles

  摘要：

  A 1,3,5,7-tetraphenyladamantane derivative having three arms terminating with carboxylic acids and a fourth substituted with a 9,10-phenanthrolinyl ligand was prepared as a new kind of molecular linkage to study dynamics of electron injection at the interface of TiO2 nanoparticles. (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)01187-4
• 作为产物：
  描述：

  1-(4-trimethylsilylethynylphenyl)-3,5,7-tris(4-carbomethoxyphenyl)adamantane 在 四丁基氟化铵 、 lithium hexamethyldisilazane 作用下， 以 乙腈 为溶剂， 生成 Methyl 4-[3,5-bis(4-methoxycarbonylphenyl)-7-[4-[2-(1,10-phenanthrolin-5-yl)ethynyl]phenyl]-1-adamantyl]benzoate
  参考文献：
  名称：

  Synthesis of a molecular tripod to anchor molecular coordination compounds to semiconductor nanoparticles

  摘要：

  A 1,3,5,7-tetraphenyladamantane derivative having three arms terminating with carboxylic acids and a fourth substituted with a 9,10-phenanthrolinyl ligand was prepared as a new kind of molecular linkage to study dynamics of electron injection at the interface of TiO2 nanoparticles. (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(00)01187-4