1,3,6,8-tetra(2-furyl)pyrene | 1550224-32-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1,3,6,8-tetra(2-furyl)pyrene
• 英文别名: 2-[3,6,8-Tris(furan-2-yl)pyren-1-yl]furan；2-[3,6,8-tris(furan-2-yl)pyren-1-yl]furan
• CAS: 1550224-32-2
• 化学式: C₃₂H₁₈O₄
• 分子量: 466.493
• InChiKey: KOPOIVZNOGFDSZ-UHFFFAOYSA-N

物化性质

• 沸点：
  579.8±45.0 °C(Predicted)
• 密度：
  1.316±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3,6,8-四溴芘 、 2-(三丁基锡烷基)呋喃 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 96.0h， 以65%的产率得到1,3,6,8-tetra(2-furyl)pyrene
  参考文献：
  名称：

  Furyl derivatives of pyrene: Efficient synthesis and relevant optical properties

  摘要：

  A series of various furyl derivatives of pyrene were synthesized by Stille cross-coupling procedure. Their structures were characterized by nuclear magnetic resonance, and elemental analysis. Optical properties of the synthesized materials as well as their energy levels were investigated by ultraviolet-visible absorption supported by fluorescence spectra. All of the studied compounds exhibit fluorescence with energy peaks dependent on the number of furyl substituents. Furthermore, quantum mechanical modeling method of obtained materials are studied. Experimental data are focused on quantum chemical calculations. Highest occupied molecular and lowest unoccupied molecular orbitals are delocalized uniformly on both pyrene core and furyl substituents. Furanyl-pyrene hybrids are potentially good materials for optical applications mainly due to their optical and charge transport properties, which are also desired for electronic applications. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.dyepig.2013.11.005

文献信息

• Pyrene Based Compound and Light Emitting Transistor Element Using the Same
  申请人：Oyamada Takahito

  公开号：US20080105865A1

  公开（公告）日：2008-05-08

  An object is to provide a pyrene based compound that is good in both properties of light emission and mobility when the compound is used as a light emitting transistor element; and a light emitting transistor element wherein this specific pyrene based compound is used. A pyrene based compound represented by the following chemical formula (1) is used as a main component of a light emitting layer in a light emitting transistor element: (wherein R 1 represents a group selected from a heteroaryl group which may have a substituent, an aryl group which may have a substituent except a phenyl group which does not have any substituent, an alkyl group which may have a substituent and has a main chain having 1 to 20 carbon atoms, an alkenyl group which may have a substituent, an alkynyl group which may have a substituent, a silyl group which may have a substituent, and a halogen atom.)