2-{3-Cyano-4-[2-(4-diethylamino-phenyl)-vinyl]-5,5-dimethyl-5H-furan-2-ylidene}-malononitrile | 296280-34-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-{3-Cyano-4-[2-(4-diethylamino-phenyl)-vinyl]-5,5-dimethyl-5H-furan-2-ylidene}-malononitrile
• 英文别名: 3-Cyano-4-[2-(4-diethylamino-phenyl)-vinyl]-5,5-dimethyl-5H-furan-2-ylidene-malononitrile；2-[3-Cyano-4-[2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile；2-[3-cyano-4-[2-[4-(diethylamino)phenyl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile
• CAS: 296280-34-7
• 化学式: C₂₂H₂₂N₄O
• 分子量: 358.443
• InChiKey: QXVVFCWEGSLJKD-UHFFFAOYSA-N

物化性质

• 熔点：
  243-245 °C(Solv: methanol (67-56-1); dichloromethane (75-09-2))
• 沸点：
  477.7±45.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  83.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N,N-二乙基-4-氨基苯甲醛 、 2-(3-氰基-4,5,5-三甲基呋喃-2(5H)-亚甲基)丙二腈 在 吡啶 作用下， 以78%的产率得到2-{3-Cyano-4-[2-(4-diethylamino-phenyl)-vinyl]-5,5-dimethyl-5H-furan-2-ylidene}-malononitrile
  参考文献：
  名称：

  Spectroscopic investigations of a novel tricyanofuran dye for nonlinear optics

  摘要：

  A novel tricyanofuran dye was synthesized and the dye-in-polymer films were fabricated by spin-coating process. The spectroscopic properties of the dye in the solutions and polymer films were investigated by the absorption spectra and fluorescence emission spectra. It is found that the absorption and fluorescence maxima are largely red-shifted along with the increase of the solvent polarity. And the low values of fluorescence quantum yield in higher polarity solvents suggest the presence of twisted intramolecular charge transfer states of the dye. Moreover, the second order polarizability value of the novel dye was estimated based on the quantum-mechanical two-level model. (C) 2008 Published by Elsevier B.V.

  DOI：

  10.1016/j.saa.2007.11.010

文献信息

• Spectroscopic investigations of a novel tricyanofuran dye for nonlinear optics
  作者：Likun Han、Yadong Jiang、Wei Li、Yuanxun Li、Peng Hao

  DOI：10.1016/j.saa.2007.11.010

  日期：2008.11

  A novel tricyanofuran dye was synthesized and the dye-in-polymer films were fabricated by spin-coating process. The spectroscopic properties of the dye in the solutions and polymer films were investigated by the absorption spectra and fluorescence emission spectra. It is found that the absorption and fluorescence maxima are largely red-shifted along with the increase of the solvent polarity. And the low values of fluorescence quantum yield in higher polarity solvents suggest the presence of twisted intramolecular charge transfer states of the dye. Moreover, the second order polarizability value of the novel dye was estimated based on the quantum-mechanical two-level model. (C) 2008 Published by Elsevier B.V.