1,4-Bis-(4-methoxy-styryl)-benzol | 2607-41-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,4-Bis-(4-methoxy-styryl)-benzol
• 英文别名: 1,4-bis(4-methoxylstyryl)benzene；1,1'-[1,4-Phenylenedi(ethene-2,1-diyl)]bis(4-methoxybenzene)；1,4-bis[2-(4-methoxyphenyl)ethenyl]benzene
• CAS: 2607-41-2
• 化学式: C₂₄H₂₂O₂
• 分子量: 342.437
• InChiKey: IUAFWEIVTUQPPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  [p-phenylenebis(methylene)]bis[triphenylphosphonium] dichloride 、 4-甲氧基苯甲醛 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 1,4-Bis-(4-methoxy-styryl)-benzol
  参考文献：
  名称：

  Alkoxylated p-phenylenevinylene oligomers: Synthesis and spectroscopic and electrochemical properties

  摘要：

  Twenty-one n-alkoxy substituted phenylenevinylene oligomers were synthesized, varying in size, number and position of the OR groups. IR,MS and solubility data are presented. NMR measurements provided the molecular structure as well as information about conformations and molecular dynamics. UV and of cyclic voltammetric data give correlations of chemical structure (number and position of OR substituents) with separate HOMO and LUMO energies. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00871-5

文献信息

• Comparison of 1,4-distyrylfluorene and 1,4-distyrylbenzene analogues: synthesis, structure, electrochemistry and photophysics
  作者：Brynna J. Laughlin、Tyler L. Duniho、Samantha J. El Homsi、Benjamin E. Levy、Nihal Deligonul、Joshua R. Gaffen、John D. Protasiewicz、Andrew G. Tennyson、Rhett C. Smith

  DOI：10.1039/c3ob40580j

  日期：——

  The contributions of intermolecular π-stacking and hydrogen bonding to crystal packing are discussed. A series of nine 1,4-distyrylphenylene derivatives (3) were also synthesised and similarly characterized for comparison to photophysical and solvatochromic effects observed in series 2. Properties of similarly-substituted molecules in series 2 and 3 were compared to one another in order to assess the

  合成了一系列九个由具有可变的供电子或受电能力的取代基官能化的1，4-二苯乙烯基芴衍生物（2）。研究了分子的光物理性质，包括紫外线/可见光吸收，光致发光发射和荧光量子产率。发现发色团2的光物理性质表现出显着的溶剂变色作用，尤其是在斯托克斯频移和光致发光最大值中。系列2的电化学性能还通过循环伏安法和微分脉冲伏安法进行了评估。DFT计算（B3LYP / 6-31G *）和对选定分子的单晶X射线衍射进一步支持了光物理和电化学分析的结果。讨论了分子间π堆积和氢键对晶体堆积的贡献。还合成了一系列九种1,4-二苯乙烯基亚苯基衍生物（3），并进行了类似的表征，以与在系列2中观察到的光物理和溶剂变色效应进行比较。将系列2和3中类似取代的分子的性质相互比较，以评估1,4-芴基单元的影响。
• Alkoxylated p-phenylenevinylene oligomers: Synthesis and spectroscopic and electrochemical properties
  作者：Henri Ndayikengurukiye、Sven Jacobs、Wim Tachelet、Johan Van Der Looy、Anne Pollaris、Herman J. Geise、Magda Claeys、Jean M. Kauffmann、Silvia Janietz

  DOI：10.1016/s0040-4020(97)00871-5

  日期：1997.10

  Twenty-one n-alkoxy substituted phenylenevinylene oligomers were synthesized, varying in size, number and position of the OR groups. IR,MS and solubility data are presented. NMR measurements provided the molecular structure as well as information about conformations and molecular dynamics. UV and of cyclic voltammetric data give correlations of chemical structure (number and position of OR substituents) with separate HOMO and LUMO energies. (C) 1997 Elsevier Science Ltd.