1-[3-cyano-7-(diethylamino)-2H-chromen-2-ylidene]-3-(4-isopropylphenyl)urea | 1209400-28-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[3-cyano-7-(diethylamino)-2H-chromen-2-ylidene]-3-(4-isopropylphenyl)urea
• 英文别名: 1-[3-Cyano-7-(diethylamino)chromen-2-ylidene]-3-(4-propan-2-ylphenyl)urea；1-[3-cyano-7-(diethylamino)chromen-2-ylidene]-3-(4-propan-2-ylphenyl)urea
• CAS: 1209400-28-1
• 化学式: C₂₄H₂₆N₄O₂
• 分子量: 402.496
• InChiKey: SIMHRSBZRSFWFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  77.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-异丙基苯异氰酸酯 、 7-(diethylamino)-2-imino-2H-chromene-3-carbonitrile 以 氯仿 为溶剂， 以80%的产率得到1-[3-cyano-7-(diethylamino)-2H-chromen-2-ylidene]-3-(4-isopropylphenyl)urea
  参考文献：
  名称：

  The synthesis and optical properties of novel fluorescent iminocoumarins and bis-iminocoumarins: Investigations in the series of urea derivatives

  摘要：

  The condensation of 3-cyano-7-diethylamino-iminocoumarin with various isocyanates and diisocyanates as C-electrophiles gave a new series of N-substituted iminocoumarins and bis-iminocoumarins. The ten compounds obtained were characterized using IR, H-1 NMR, C-13 NMR, elemental analysis and mass spectrometry Their optical properties, studied in dichloromethane by UV/vis absorption and fluorescence spectroscopy, were found to depend strongly upon the nature of the substituent borne by the imino group. For the sake of comparison, the optical properties of selected compounds were also analyzed in ethanol. Of the iminocoumarins studied, the alkylurea derivatives displayed the most interesting spectroscopic characteristics and may be of potential use as novel fluorescent probes in media of various polarity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2009.07.003

文献信息

• The synthesis and optical properties of novel fluorescent iminocoumarins and bis-iminocoumarins: Investigations in the series of urea derivatives
  作者：Mehdi Fakhfakh、Hamida Turki、Suzanne Fery-Forgues、Rachid El Gharbi

  DOI：10.1016/j.dyepig.2009.07.003

  日期：2010.1

  The condensation of 3-cyano-7-diethylamino-iminocoumarin with various isocyanates and diisocyanates as C-electrophiles gave a new series of N-substituted iminocoumarins and bis-iminocoumarins. The ten compounds obtained were characterized using IR, H-1 NMR, C-13 NMR, elemental analysis and mass spectrometry Their optical properties, studied in dichloromethane by UV/vis absorption and fluorescence spectroscopy, were found to depend strongly upon the nature of the substituent borne by the imino group. For the sake of comparison, the optical properties of selected compounds were also analyzed in ethanol. Of the iminocoumarins studied, the alkylurea derivatives displayed the most interesting spectroscopic characteristics and may be of potential use as novel fluorescent probes in media of various polarity. (C) 2009 Elsevier Ltd. All rights reserved.