1,3,6-tris(2-furyl)pyrene | 1550224-30-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1,3,6-tris(2-furyl)pyrene
• 英文别名: 2-[3,8-Bis(furan-2-yl)pyren-1-yl]furan；2-[3,8-bis(furan-2-yl)pyren-1-yl]furan
• CAS: 1550224-30-0
• 化学式: C₂₈H₁₆O₃
• 分子量: 400.433
• InChiKey: ATEDVXSBMBQUFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  芘 在 四(三苯基膦)钯 、 溴 作用下， 以 甲苯 为溶剂， 生成 1,3,6-tris(2-furyl)pyrene
  参考文献：
  名称：

  The optical properties and quantum chemical calculations of thienyl and furyl derivatives of pyrene

  摘要：

  给您结果：

  针对各种新的噻吩基和呋喃基吡啶衍生物进行了详细的电化学、光物理和理论研究。

  DOI：

  10.1039/c5cp03013g

文献信息

• Furyl derivatives of pyrene: Efficient synthesis and relevant optical properties
  作者：Krzysztof R. Idzik、Przemyslaw Ledwon、Tobias Licha、Wojciech Kuznik、Mieczyslaw Lapkowski、Jaroslaw Frydel

  DOI：10.1016/j.dyepig.2013.11.005

  日期：2014.4

  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.
• The optical properties and quantum chemical calculations of thienyl and furyl derivatives of pyrene
  作者：Krzysztof R. Idzik、Piotr J. Cywiński、Wojciech Kuznik、Jaroslaw Frydel、Tobias Licha、Tomasz Ratajczyk

  DOI：10.1039/c5cp03013g

  日期：——

  A detailed electrochemical, photophysical and theoretical study is presented for various new thienyl and furyl derivatives of pyrene.

  给您结果：

  针对各种新的噻吩基和呋喃基吡啶衍生物进行了详细的电化学、光物理和理论研究。