1-[3-cyano-7-(diethylamino)-2H-chromen-2-ylidene]-3-isopropylurea | 1209400-34-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1-[3-cyano-7-(diethylamino)-2H-chromen-2-ylidene]-3-isopropylurea
• CAS: 1209400-34-9
• 化学式: C₁₈H₂₂N₄O₂
• 分子量: 326.398
• InChiKey: YLPPIKRUTBCLSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.17
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  81.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  7-(diethylamino)-2-imino-2H-chromene-3-carbonitrile 、 异氰酸异丙酯 以 氯仿 为溶剂， 以71%的产率得到1-[3-cyano-7-(diethylamino)-2H-chromen-2-ylidene]-3-isopropylurea
  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