4,4'-((2,5-bis((2-octyldodecyl)oxy)-1,4-phenylene)bis(ethyne-2,1-diyl))bis(bromobenzene) | 1017535-69-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4,4'-((2,5-bis((2-octyldodecyl)oxy)-1,4-phenylene)bis(ethyne-2,1-diyl))bis(bromobenzene)
• CAS: 1017535-69-1
• 化学式: C₆₂H₉₂Br₂O₂
• 分子量: 1029.22
• InChiKey: DBZLVMIDGSRIBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.56
• 重原子数：
  66.0
• 可旋转键数：
  38.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4,4'-((2,5-bis((2-octyldodecyl)oxy)-1,4-phenylene)bis(ethyne-2,1-diyl))bis(bromobenzene) 、 三甲基乙炔基硅 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 以49%的产率得到(2-(4-(2-(2,5-bis(2-octyldodecyloxy)-4-(2-(4-bromophenyl)ethynyl)phenyl)ethynyl)phenyl)ethynyl)trimethylsilane
  参考文献：
  名称：

  A Templating Approach for Monodisperse Self-Assembled Organic Nanostructures

  摘要：

  The precise structural control is known for self-assembly into closed spherical structures (e.g., micelles), but similar control of open structures is much more challenging. Inspired by natural tobacco mosaic virus, we present the use of a rigid-rod template to control the size of a one-dimensional self-assembly. We believe that this strategy is novel for organic self-assembly and should provide a general approach to controlling size and dimension.

  DOI：

  10.1021/ja710749q
• 作为产物：
  描述：

  1,4-diethynyl-2,5-bis((2-octyldodecyl)oxy)benzene 、 对溴碘苯 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 以86%的产率得到4,4'-((2,5-bis((2-octyldodecyl)oxy)-1,4-phenylene)bis(ethyne-2,1-diyl))bis(bromobenzene)
  参考文献：
  名称：

  A Templating Approach for Monodisperse Self-Assembled Organic Nanostructures

  摘要：

  The precise structural control is known for self-assembly into closed spherical structures (e.g., micelles), but similar control of open structures is much more challenging. Inspired by natural tobacco mosaic virus, we present the use of a rigid-rod template to control the size of a one-dimensional self-assembly. We believe that this strategy is novel for organic self-assembly and should provide a general approach to controlling size and dimension.

  DOI：

  10.1021/ja710749q