1,4-dibutoxy-2-((2,5-dibutoxy-4-(phenylethynyl)phenyl)ethynyl)-5-iodobenzene | 1426913-41-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,4-dibutoxy-2-((2,5-dibutoxy-4-(phenylethynyl)phenyl)ethynyl)-5-iodobenzene
• CAS: 1426913-41-8
• 化学式: C₃₈H₄₅IO₄
• 分子量: 692.677
• InChiKey: VIEXSGZBOUTSRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.81
• 重原子数：
  43.0
• 可旋转键数：
  16.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-乙炔基菲 、 1,4-dibutoxy-2-((2,5-dibutoxy-4-(phenylethynyl)phenyl)ethynyl)-5-iodobenzene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以86%的产率得到2-((2,5-dibutoxy-4-((2,5-dibutoxy-4-(phenylethynyl)phenyl)ethynyl)phenyl)ethynyl)phenanthrene
  参考文献：
  名称：

  Synthesis and characterization of unsymmetrical phenylene–ethynylene trimers and tetramers with different chromophores as blue-light-emitters

  摘要：

  A series of highly fluorescent p-phenylene-ethynylene pi-conjugated oligomers (trimers and tetramers) with different chromophore substituents have been synthesized stepwise under oxygen-free Sonogashira conditions. The emission wavelengths range from 400 to 455 nm for the series. All four trimers and tetramers have visible blue emission under sunlight especially for the case of the pyrene-substituted trimer and tetramer. All oligomers also exhibit very high quantum yields (0.9-1.1), which suggest that these types of compounds could be used as blue-light-emitters. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.076
• 作为产物：
  描述：

  1,4-dibutoxy-2-iodo-5-(phenylethynyl)benzene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 144.0h， 生成 1,4-dibutoxy-2-((2,5-dibutoxy-4-(phenylethynyl)phenyl)ethynyl)-5-iodobenzene
  参考文献：
  名称：

  Synthesis and characterization of unsymmetrical phenylene–ethynylene trimers and tetramers with different chromophores as blue-light-emitters

  摘要：

  A series of highly fluorescent p-phenylene-ethynylene pi-conjugated oligomers (trimers and tetramers) with different chromophore substituents have been synthesized stepwise under oxygen-free Sonogashira conditions. The emission wavelengths range from 400 to 455 nm for the series. All four trimers and tetramers have visible blue emission under sunlight especially for the case of the pyrene-substituted trimer and tetramer. All oligomers also exhibit very high quantum yields (0.9-1.1), which suggest that these types of compounds could be used as blue-light-emitters. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.076