4-[2-[4-[4-[2,5-Dihexyl-4-[2-(4-hydroxyphenyl)ethynyl]phenyl]buta-1,3-diynyl]-2,5-dihexylphenyl]ethynyl]phenol | 312624-95-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-[2-[4-[4-[2,5-Dihexyl-4-[2-(4-hydroxyphenyl)ethynyl]phenyl]buta-1,3-diynyl]-2,5-dihexylphenyl]ethynyl]phenol
• CAS: 312624-95-6
• 化学式: C₅₆H₆₆O₂
• 分子量: 771.139
• InChiKey: QIZJSPPTPGFDRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.5
• 重原子数：
  58
• 可旋转键数：
  27
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-二(溴甲基)苯 、 4-[2-[4-[4-[2,5-Dihexyl-4-[2-(4-hydroxyphenyl)ethynyl]phenyl]buta-1,3-diynyl]-2,5-dihexylphenyl]ethynyl]phenol 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以72%的产率得到1-[2-[4-[[4-(Bromomethyl)phenyl]methoxy]phenyl]ethynyl]-4-[4-[4-[2-[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]ethynyl]-2,5-dihexylphenyl]buta-1,3-diynyl]-2,5-dihexylbenzene
  参考文献：
  名称：

  原子转移自由基聚合法合成发光棒-嵌段共聚物

  摘要：

  以低聚对苯乙炔为引发剂，通过原子转移自由基聚合，合成了以低聚对苯乙炔为棒状，聚苯乙烯为线圈的发光棒-线圈二嵌段和线圈-棒三嵌段共聚物。被2-卤代丙酰氧基或4-（溴甲基）苄氧基取代。

  DOI：

  10.1021/ma020256k
• 作为产物：
  描述：

  2-[2,5-Dihexyl-4-[2-[4-(oxan-2-yloxy)phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane 在 哌啶 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四丁基氟化铵 、 对甲苯磺酸 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 4-[2-[4-[4-[2,5-Dihexyl-4-[2-(4-hydroxyphenyl)ethynyl]phenyl]buta-1,3-diynyl]-2,5-dihexylphenyl]ethynyl]phenol
  参考文献：
  名称：

  EPR Probes with Well-Defined, Long Distances between Two or Three Unpaired Electrons

  摘要：

  The synthesis of rod- and star-shaped compounds carrying two or three spin labels as end groups is described. The unpaired electrons are 2.8-5.1 nm apart from each other. The shape-persistent scaffolds were obtained through Pd-Cu-catalyzed alkynyl-aryl coupling and Pd-Cu-catalyzed alkyne dimerization in the presence of oxygen using p-phenyleneethynylene as the basic shape-persistent building block. The spin label 1-oxyl-2,2,5,5-tetramethylpyrroline-3-carboxylic acid (4) was attached through esterification of the terminal phenolic OH groups of the scaffold.

  DOI：

  10.1021/jo005556j

文献信息

• Synthesis of Luminescent Rod−Coil Block Copolymers Using Atom Transfer Radical Polymerization
  作者：P. K. Tsolakis、J. K. Kallitsis、A. Godt

  DOI：10.1021/ma020256k

  日期：2002.7.1

  The synthesis of luminescent rod−coil diblock and coil−rod−coil triblock copolymers containing oligo(p-phenyleneethynylene) as the rodlike block and polystyrene as the coil was achieved via atom transfer radical polymerization using oligo(p-phenyleneethynylene)s as the initiators substituted with 2-halogenopropionyloxy or 4-(bromomethyl)benzyloxy groups.

  以低聚对苯乙炔为引发剂，通过原子转移自由基聚合，合成了以低聚对苯乙炔为棒状，聚苯乙烯为线圈的发光棒-线圈二嵌段和线圈-棒三嵌段共聚物。被2-卤代丙酰氧基或4-（溴甲基）苄氧基取代。
• EPR Probes with Well-Defined, Long Distances between Two or Three Unpaired Electrons
  作者：Adelheid Godt、Corinna Franzen、Stephan Veit、Volker Enkelmann、Matthias Pannier、Gunnar Jeschke

  DOI：10.1021/jo005556j

  日期：2000.11.1

  The synthesis of rod- and star-shaped compounds carrying two or three spin labels as end groups is described. The unpaired electrons are 2.8-5.1 nm apart from each other. The shape-persistent scaffolds were obtained through Pd-Cu-catalyzed alkynyl-aryl coupling and Pd-Cu-catalyzed alkyne dimerization in the presence of oxygen using p-phenyleneethynylene as the basic shape-persistent building block. The spin label 1-oxyl-2,2,5,5-tetramethylpyrroline-3-carboxylic acid (4) was attached through esterification of the terminal phenolic OH groups of the scaffold.