1,4-bis(3-nitrophenyl)-2,5-bis[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene | 1186544-51-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,4-bis(3-nitrophenyl)-2,5-bis[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
• CAS: 1186544-51-3
• 化学式: C₃₈H₂₈N₂O₄
• 分子量: 576.651
• InChiKey: JOGVDUYEBAJKKO-PXOPUTQYSA-N

物化性质

• 沸点：
  831.2±65.0 °C(predicted)
• 密度：
  1.244±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-硝基苯硼酸 、 4-dibromo-2,5-bis-(4-phenyl-buta-1,3-dienyl)-benzene 在 四(三苯基膦)钯 、 十六烷基三甲基溴化铵 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 48.0h， 以43%的产率得到1,4-bis(3-nitrophenyl)-2,5-bis[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
  参考文献：
  名称：

  Synthesis and characterization of cross-conjugated cruciforms with varied functional groups

  摘要：

  A series of novel oligo(p-phenylenes) (OPPs) derivatives with bisdiene side-chains are synthesized and fully characterized. These cruciforms are soluble in common organic solvents and show good thermal stability. Absorption and emission spectra are recorded to study the effect of different electron-withdrawing and electron-donating groups on photophysical properties. Powder XRD shows crystalline structures for all the cruciforms. Single crystal XRD studies show tight-packing along the planar bisdiene axis but Significant twisting along phenylene units, Which correlate the role of functionalization along the bisdiene axis in tuning the band gaps of the cruciforms. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.06.119

文献信息

• Synthesis and characterization of cross-conjugated cruciforms with varied functional groups
  作者：Hairong Li、Suresh Valiyaveettil

  DOI：10.1016/j.tetlet.2009.06.119

  日期：2009.9

  A series of novel oligo(p-phenylenes) (OPPs) derivatives with bisdiene side-chains are synthesized and fully characterized. These cruciforms are soluble in common organic solvents and show good thermal stability. Absorption and emission spectra are recorded to study the effect of different electron-withdrawing and electron-donating groups on photophysical properties. Powder XRD shows crystalline structures for all the cruciforms. Single crystal XRD studies show tight-packing along the planar bisdiene axis but Significant twisting along phenylene units, Which correlate the role of functionalization along the bisdiene axis in tuning the band gaps of the cruciforms. (C) 2009 Elsevier Ltd. All rights reserved.