1,4-bis(5-bromo-2-iodostyryl)benzene | 1038395-08-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,4-bis(5-bromo-2-iodostyryl)benzene
• CAS: 1038395-08-2
• 化学式: C₂₂H₁₄Br₂I₂
• 分子量: 691.97
• InChiKey: NEKAXUYZOOAWRS-KQQUZDAGSA-N

物化性质

• 熔点：
  254-255 °C(Solvent: Chloroform; Methanol)
• 沸点：
  621.8±55.0 °C(predicted)
• 密度：
  2.081±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.76
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1,4-bis(5-bromo-2-iodostyryl)benzene 在 甲醇 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 2-[(E)-2-[4-[(E)-2-(2,5-diethynylphenyl)ethenyl]phenyl]ethenyl]-1,4-diethynylbenzene
  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
• 作为产物：
  描述：

  2-氨基-5-溴苯甲酸 在 盐酸 、 重铬酸吡啶 、 硫酸 、 sodium hydride 、 二异丁基氢化铝 、 sodium hydroxide 、 sodium nitrite 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 9.83h， 生成 1,4-bis(5-bromo-2-iodostyryl)benzene
  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