2-(4-(2-(1H-indol-3-yl)vinyl)-3-cyano-5,5-dimethylfuran-2(5H)-ylidene)malononitrile | 1309450-38-1

• 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-(4-(2-(1H-indol-3-yl)vinyl)-3-cyano-5,5-dimethylfuran-2(5H)-ylidene)malononitrile
• CAS: 1309450-38-1
• 化学式: C₂₀H₁₄N₄O
• 分子量: 326.357
• InChiKey: NPQRJKDXHLHZMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.11
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  96.39
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3-吲哚甲醛 、 2-(3-氰基-4,5,5-三甲基呋喃-2(5H)-亚甲基)丙二腈 以 乙醇 为溶剂， 以43%的产率得到2-(4-(2-(1H-indol-3-yl)vinyl)-3-cyano-5,5-dimethylfuran-2(5H)-ylidene)malononitrile
  参考文献：
  名称：

  基于吲哚供体的新型共轭小分子的合成及非线性光学性质

  摘要：

  摘要 采用无溶剂条件下芳基卤化物的Buchwald-Hartwig胺化反应制备具有高密度电子云的电子给体。设计并合成了基于该电子供体的有机二阶非线性光学发色团ZML-c。并且还制备了没有修饰基团的生色团ZML-ref作为对比。它们的离域能级是通过 UV-Vis 估计的。光谱。通过热重分析 (TGA) 研究了它们的热性能。显然，生色团 ZML-c 表现出较低的离域能级和较低的热分解温度（仅约 160 °C）。对于生色团 ZML-c 和 ZML-ref，极化薄膜显示出最大的电光 (EO) 系数，分别为 23.5 pm/V 和 10.6 pm/V。

  DOI：

  10.1016/j.molstruc.2018.03.133

文献信息

• The synthesis and spectral properties of a stimuli-responsive D–π–A charge transfer dye based on indole donor and 2-cyanomethylene-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran acceptor moieties
  作者：Sung-Hoon Kim、Sue-Yoen Lee、Seon-Yeong Gwon、Jin-Seok Bae、Young-A. Son

  DOI：10.1016/j.jphotochem.2010.10.013

  日期：2011.1

  A particular chromogenic and fluorophoric dye chemosensor was designed and synthesized, which was based on the stimuli-responsive D-pi-A charge transfer system. Indole moiety as a donor unit and furan moiety as an acceptor unit were used. This prepared dye sensor showed the selective fluoride ion sensing effects in UV-vis absorption and fluorescence emission properties. Clear absorption changes and highly selective fluorescence quenching effects with fluoride ion were determined. Experimental data and images were collected and supported to provide a better understanding of this particular dye sensor. (C) 2010 Elsevier B.V. All rights reserved.