(E)-4-(2-(4′-methyl-[2,2′-bipyridin]-4-yl)vinyl)-N,N-diphenylaniline | 591248-57-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (E)-4-(2-(4′-methyl-[2,2′-bipyridin]-4-yl)vinyl)-N,N-diphenylaniline
• 英文别名: 4-[(E)-2-(4-(diphenylamino)phenyl)ethenyl]-4'-methyl-2,2'-bipyridyl；4-[(E)-2-[2-(4-methylpyridin-2-yl)pyridin-4-yl]ethenyl]-N,N-diphenylaniline
• CAS: 591248-57-6
• 化学式: C₃₁H₂₅N₃
• 分子量: 439.56
• InChiKey: QFQGVYLWJNBEGR-OUKQBFOZSA-N

物化性质

• 沸点：
  633.1±55.0 °C(Predicted)
• 密度：
  1.182±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  29
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-4-(2-(4′-methyl-[2,2′-bipyridin]-4-yl)vinyl)-N,N-diphenylaniline 在 ammonium hexafluorophosphate 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 48.0h， 生成 2-methyl-12-[(E)-2-(4-(diphenylamino)phenyl)ethenyl]-7,8-dihydro-6H-dipyrido[1,2-a:2',1'-c][1,4]diazepinediium hexafluorophosphate
  参考文献：
  名称：

  具有二苯氨基取代基的敌草快生色团盐的二次和立方非线性光学性质

  摘要：

  已经制备了一系列发色盐，其中4-（二苯氨基）苯基（Dpap）电子供体基团与电子接受性二季铵化的2,2'-联吡啶（二季铵）单元相连。主要目的是在具有2D结构的潜在氧化还原可转换分子中结合大型二次方和立方非线性光学（NLO）效应。发色团已经被表征为他们PF 6 -通过使用包括电子吸收光谱法和循环伏安法在内的各种技术制备盐。可见光吸收光谱主要由强烈的π→π*分子内电荷转移（ICT）谱带控制，所有化合物均显示出两种可逆或准可逆基于敌草快的还原反应和部分可逆Dpap氧化反应。对于一种盐和前体化合物（E）-4-（二苯基氨基）肉桂醛，均获得了单晶X射线结构，这两种化合物均具有中心对称的空间基团。β已经通过使用超瑞利散射（HRS）用800nm的激光测量的第一超极化，并且ICT频带的斯塔克（电吸收）谱，得到估计的静态第一超极化β 0。与双-Dpap衍生物的单取代类似物相比，直接和间接获得的β值很大，并且通常

  DOI：

  10.1021/jp106473e
• 作为产物：
  描述：

  1-(4-(N,N-diphenylamino)phenyl)-2-(4′-methyl-2,2′-bipyridin-4-yl)ethanol 以 溶剂黄146 为溶剂， 反应 12.0h， 以49%的产率得到(E)-4-(2-(4′-methyl-[2,2′-bipyridin]-4-yl)vinyl)-N,N-diphenylaniline
  参考文献：
  名称：

  Phosphonic acid anchored ruthenium complexes for ZnO-based dye-sensitized solar cells

  摘要：

  We report on the development of ruthenium dyes for the application in flexible ZnO based dyesensitized solar cells. The ZnO based solar cells were prepared by electrodeposition using eosin Y as a structure-directing agent. The newly synthesized ruthenium dyes differed in the complexity of the extended pi-donor-system and in their anchor moieties. As alternatives to carboxylic acids as anchor groups, dyes carrying phosphonic acids were studied. Comparison of the dyes contrary to what could be expected showed that the phosphonic acid anchored dyes were not superior to the carboxylic anchored dyes. A surprising second effect was that the dyes with the least sophisticated ligands performed best. Exploring possible reasons we established a simple model that allows pre-evaluation of the applicability of the dyes before testing them in real solar cells. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.12.018

文献信息

• Phosphonic acid anchored ruthenium complexes for ZnO-based dye-sensitized solar cells
  作者：Katja Neuthe、Florian Bittner、Frank Stiemke、Benjamin Ziem、Juan Du、Monika Zellner、Michael Wark、Thomas Schubert、Rainer Haag

  DOI：10.1016/j.dyepig.2013.12.018

  日期：2014.5

  We report on the development of ruthenium dyes for the application in flexible ZnO based dyesensitized solar cells. The ZnO based solar cells were prepared by electrodeposition using eosin Y as a structure-directing agent. The newly synthesized ruthenium dyes differed in the complexity of the extended pi-donor-system and in their anchor moieties. As alternatives to carboxylic acids as anchor groups, dyes carrying phosphonic acids were studied. Comparison of the dyes contrary to what could be expected showed that the phosphonic acid anchored dyes were not superior to the carboxylic anchored dyes. A surprising second effect was that the dyes with the least sophisticated ligands performed best. Exploring possible reasons we established a simple model that allows pre-evaluation of the applicability of the dyes before testing them in real solar cells. (C) 2013 Elsevier Ltd. All rights reserved.
• Quadratic and Cubic Nonlinear Optical Properties of Salts of Diquat-Based Chromophores with Diphenylamino Substituents
  作者：Benjamin J. Coe、John Fielden、Simon P. Foxon、Madeleine Helliwell、Bruce S. Brunschwig、Inge Asselberghs、Koen Clays、Joanna Olesiak、Katarzyna Matczyszyn、Marek Samoc

  DOI：10.1021/jp106473e

  日期：2010.11.18

  donor groups are connected to electron-accepting diquaternized 2,2′-bipyridyl (diquat) units. The main aim is to combine large quadratic and cubic nonlinear optical (NLO) effects in potentially redox-switchable molecules with 2D structures. The chromophores have been characterized as their PF6− salts by using various techniques including electronic absorption spectroscopy and cyclic voltammetry. The

  已经制备了一系列发色盐，其中4-（二苯氨基）苯基（Dpap）电子供体基团与电子接受性二季铵化的2,2'-联吡啶（二季铵）单元相连。主要目的是在具有2D结构的潜在氧化还原可转换分子中结合大型二次方和立方非线性光学（NLO）效应。发色团已经被表征为他们PF 6 -通过使用包括电子吸收光谱法和循环伏安法在内的各种技术制备盐。可见光吸收光谱主要由强烈的π→π*分子内电荷转移（ICT）谱带控制，所有化合物均显示出两种可逆或准可逆基于敌草快的还原反应和部分可逆Dpap氧化反应。对于一种盐和前体化合物（E）-4-（二苯基氨基）肉桂醛，均获得了单晶X射线结构，这两种化合物均具有中心对称的空间基团。β已经通过使用超瑞利散射（HRS）用800nm的激光测量的第一超极化，并且ICT频带的斯塔克（电吸收）谱，得到估计的静态第一超极化β 0。与双-Dpap衍生物的单取代类似物相比，直接和间接获得的β值很大，并且通常