4-[2-[2,5-Dihexyl-4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]phenol | 312624-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-[2-[2,5-Dihexyl-4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]phenol
• CAS: 312624-87-6
• 化学式: C₃₄H₃₈O₂
• 分子量: 478.675
• InChiKey: AEMNXNCCRQPTIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  36
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 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：

  2-氯丙酰氯 、 4-[2-[2,5-Dihexyl-4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]phenol 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 13.0h， 以85%的产率得到[4-[2-[4-[2-[4-(2-Chloropropanoyloxy)phenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]phenyl] 2-chloropropanoate
  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：

  [4-(tetrahydropyran-2-yloxy)phenyl]ethyne 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 对甲苯磺酸 、 二乙胺 作用下， 以 吡啶 、 甲醇 为溶剂， 反应 4.0h， 生成 4-[2-[2,5-Dihexyl-4-[2-(4-hydroxyphenyl)ethynyl]phenyl]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

• Dead-Time Free Measurement of Dipole–Dipole Interactions between Electron Spins
  作者：M Pannier、S Veit、A Godt、G Jeschke、H.W Spiess

  DOI：10.1006/jmre.1999.1944

  日期：2000.2

  improved signal-to-noise ratio. Tests on two nitroxide biradicals with known length indicate that the accessible range of distances extends from about 1.5 to 8 nm. The four-pulse DEER spectra of an ionic spin probe in an ionomer exhibit features due to probe molecules situated both on the same and on different ion clusters. The former feature provides information on the cluster size and is inaccessible with

  提出了脉冲双电子-电子共振 (DEER) 实验的四脉冲版本，该实验旨在确定纳米级长度尺度上的自由基间距离。使用新的脉冲序列，可以研究电子-电子耦合，而不会产生死区伪影，因此甚至可以表征电子-电子距离的广泛分布。在检测期间使用脉冲序列的实验版本表现出改进的信噪比。对两个已知长度的氮氧双自由基的测试表明，可到达的距离范围从大约 1.5 到 8 nm。由于位于相同和不同离子簇上的探针分子，离聚物中离子自旋探针的四脉冲 DEER 光谱表现出特征。
• 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.
• 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。