4-[2-[4-[2-[3-[(E)-2-[4-[(E)-2-[5-[2-[4-[2-(4-cyanophenyl)ethynyl]-2,5-didecoxyphenyl]ethynyl]-2-[2-[2,5-didecoxy-4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethenyl]phenyl]ethenyl]-4-[2-[2,5-didecoxy-4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-didecoxyphenyl]ethynyl]benzonitrile | 1263055-69-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4-[2-[4-[2-[3-[(E)-2-[4-[(E)-2-[5-[2-[4-[2-(4-cyanophenyl)ethynyl]-2,5-didecoxyphenyl]ethynyl]-2-[2-[2,5-didecoxy-4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethenyl]phenyl]ethenyl]-4-[2-[2,5-didecoxy-4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-didecoxyphenyl]ethynyl]benzonitrile
• CAS: 1263055-69-1
• 化学式: C₁₇₀H₂₁₂N₂O₁₀
• 分子量: 2443.56
• InChiKey: ILWHSSWTZYRCSQ-HGALSRMDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  57.8
• 重原子数：
  182
• 可旋转键数：
  102
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  140
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4-((4-((4-((2,5-bis(decyloxy)-4-((4-methoxyphenyl)ethynyl)phenyl)ethynyl)-3-formylphenyl)ethynyl)-2,5-bis(decyloxy)phenyl)ethynyl)benzonitrile 、 对二甲苯二磷酸四乙酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以59%的产率得到4-[2-[4-[2-[3-[(E)-2-[4-[(E)-2-[5-[2-[4-[2-(4-cyanophenyl)ethynyl]-2,5-didecoxyphenyl]ethynyl]-2-[2-[2,5-didecoxy-4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethenyl]phenyl]ethenyl]-4-[2-[2,5-didecoxy-4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-2,5-didecoxyphenyl]ethynyl]benzonitrile
  参考文献：
  名称：

  OPE/OPV H-mers: synthesis, electronic properties, and spectroscopic responses to binding with transition metal ions

  摘要：

  A new type of structurally defined H-shaped OPE/OPV co-oligomers (termed H-mers) functionalized with various donor and/or acceptor end groups was synthesized by iterative Sonogashira coupling and Horner-Wadsworth-Emmons (HWE) reactions. Electronic substitution effects on the H-mer backbone were investigated by UV-vis absorption and fluorescence spectroscopy. Some H-mers were found to show spectral responses upon binding to an acid (TFA) or transition metal ions, revealing the applicability of H-mers in the field of chromophore and fluorophore based chemosensors. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.11.012

文献信息

• OPE/OPV H-mers: synthesis, electronic properties, and spectroscopic responses to binding with transition metal ions
  作者：Ningzhang Zhou、Li Wang、David W. Thompson、Yuming Zhao

  DOI：10.1016/j.tet.2010.11.012

  日期：2011.1

  A new type of structurally defined H-shaped OPE/OPV co-oligomers (termed H-mers) functionalized with various donor and/or acceptor end groups was synthesized by iterative Sonogashira coupling and Horner-Wadsworth-Emmons (HWE) reactions. Electronic substitution effects on the H-mer backbone were investigated by UV-vis absorption and fluorescence spectroscopy. Some H-mers were found to show spectral responses upon binding to an acid (TFA) or transition metal ions, revealing the applicability of H-mers in the field of chromophore and fluorophore based chemosensors. (C) 2010 Elsevier Ltd. All rights reserved.