methyl 4-[2-[4-(4-ethynyl-N-[4-[2-(4-methoxycarbonylphenyl)ethynyl]phenyl]anilino)phenyl]ethynyl]benzoate | 1165585-71-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: methyl 4-[2-[4-(4-ethynyl-N-[4-[2-(4-methoxycarbonylphenyl)ethynyl]phenyl]anilino)phenyl]ethynyl]benzoate
• CAS: 1165585-71-6
• 化学式: C₄₀H₂₇NO₄
• 分子量: 585.659
• InChiKey: KJMIQLKYLZOGLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-[2-[4-(4-ethynyl-N-[4-[2-(4-methoxycarbonylphenyl)ethynyl]phenyl]anilino)phenyl]ethynyl]benzoate 、 三(4-碘苯)胺 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以67%的产率得到methyl 4-[2-[4-[4-[2-(4-methoxycarbonylphenyl)ethynyl]-N-[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxycarbonylphenyl)ethynyl]-N-[4-[2-(4-methoxycarbonylphenyl)ethynyl]phenyl]anilino]phenyl]ethynyl]-N-[4-[2-[4-[4-[2-(4-methoxycarbonylphenyl)ethynyl]-N-[4-[2-(4-methoxycarbonylphenyl)ethynyl]phenyl]anilino]phenyl]ethynyl]phenyl]anilino]phenyl]ethynyl]phenyl]anilino]phenyl]ethynyl]benzoate
  参考文献：
  名称：

  A Polyanionic Dendritic Fluorophore for Selective Detection of Hg²⁺ in Triton X-100 Aqueous Media

  摘要：

  A series of water-soluble fluorescent dendritic compounds composed of phenylene-ethynylene repeating units and anionic carboxylate or cationic ammonium peripheral groups were synthesized. The first generation fluorescent dendrimer containing nine phenylene-ethynylene units and six carboxylate peripheral groups exhibited a highly selective fluorescence quenching by Hg2+ ions. The Stern-Volmer constant (K-sv) was 33,700 M-1 in aqueous media in the presence of Triton X-100 surfactant.

  DOI：

  10.1021/ol900929g
• 作为产物：
  描述：

  C₄₃H₃₅NO₄Si 在 甲醇 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以74%的产率得到methyl 4-[2-[4-(4-ethynyl-N-[4-[2-(4-methoxycarbonylphenyl)ethynyl]phenyl]anilino)phenyl]ethynyl]benzoate
  参考文献：
  名称：

  A Polyanionic Dendritic Fluorophore for Selective Detection of Hg²⁺ in Triton X-100 Aqueous Media

  摘要：

  A series of water-soluble fluorescent dendritic compounds composed of phenylene-ethynylene repeating units and anionic carboxylate or cationic ammonium peripheral groups were synthesized. The first generation fluorescent dendrimer containing nine phenylene-ethynylene units and six carboxylate peripheral groups exhibited a highly selective fluorescence quenching by Hg2+ ions. The Stern-Volmer constant (K-sv) was 33,700 M-1 in aqueous media in the presence of Triton X-100 surfactant.

  DOI：

  10.1021/ol900929g

文献信息

• A Polyanionic Dendritic Fluorophore for Selective Detection of Hg²⁺ in Triton X-100 Aqueous Media
  作者：Nakorn Niamnont、Warathip Siripornnoppakhun、Paitoon Rashatasakhon、Mongkol Sukwattanasinitt

  DOI：10.1021/ol900929g

  日期：2009.7.2

  A series of water-soluble fluorescent dendritic compounds composed of phenylene-ethynylene repeating units and anionic carboxylate or cationic ammonium peripheral groups were synthesized. The first generation fluorescent dendrimer containing nine phenylene-ethynylene units and six carboxylate peripheral groups exhibited a highly selective fluorescence quenching by Hg2+ ions. The Stern-Volmer constant (K-sv) was 33,700 M-1 in aqueous media in the presence of Triton X-100 surfactant.