2,2'-((2,5-dibromo-1,4-phenylene)bis(ethyne-2,1-diyl))bis(9,9-dihexyl-9H-fluorene) | 1256091-99-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2,2'-((2,5-dibromo-1,4-phenylene)bis(ethyne-2,1-diyl))bis(9,9-dihexyl-9H-fluorene)
• CAS: 1256091-99-2
• 化学式: C₆₀H₆₈Br₂
• 分子量: 949.008
• InChiKey: WVZRCIYQCISRNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.43
• 重原子数：
  62.0
• 可旋转键数：
  20.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  2,2'-((2,5-dibromo-1,4-phenylene)bis(ethyne-2,1-diyl))bis(9,9-dihexyl-9H-fluorene) 、 4-甲氧基苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 以83%的产率得到2,2'-((4,4''-dimethoxy-[1,1':4',1''-terphenyl]-2',5'-diyl)bis(ethyne-2,1-diyl))bis(9,9-dihexyl-9H-fluorene)
  参考文献：
  名称：

  Synthesis and characterization of X-shaped oligo(para-phenylene) derivatives functionalized with fluorene ethynylene

  摘要：

  A series of linear and X-shaped oligo(para-phenylene) derivatives functionalized with fluorene ethynylenes 1, 3 and 4 were synthesized through sequent Sonogashira coupling and Suzuki-Miyaura reaction in high yield. The electron-donating group -OCH3 and electron-withdrawing counterparts -CF3 were introduced to tune the spectra properties of compounds 3 and 4. The detail investigation of their photophysical properties in solution and film indicated that the introduction of both -OCH3 and -CF3 makes maximum emission distinct red-shift in comparison with parent compound 1, but the latter more prominently. (C) 2010 Ming Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.06.031
• 作为产物：
  描述：

  1,4-二溴-2,5-二碘苯 、 2-ethynyl-9,9-dihexyl-9H-fluorene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以76%的产率得到2,2'-((2,5-dibromo-1,4-phenylene)bis(ethyne-2,1-diyl))bis(9,9-dihexyl-9H-fluorene)
  参考文献：
  名称：

  Synthesis and characterization of X-shaped oligo(para-phenylene) derivatives functionalized with fluorene ethynylene

  摘要：

  A series of linear and X-shaped oligo(para-phenylene) derivatives functionalized with fluorene ethynylenes 1, 3 and 4 were synthesized through sequent Sonogashira coupling and Suzuki-Miyaura reaction in high yield. The electron-donating group -OCH3 and electron-withdrawing counterparts -CF3 were introduced to tune the spectra properties of compounds 3 and 4. The detail investigation of their photophysical properties in solution and film indicated that the introduction of both -OCH3 and -CF3 makes maximum emission distinct red-shift in comparison with parent compound 1, but the latter more prominently. (C) 2010 Ming Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.06.031