(E)-2-(4-methoxystyryl)-4,5-bis(4-nitrophenyl)-1H-imidazole | 1158813-98-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-2-(4-methoxystyryl)-4,5-bis(4-nitrophenyl)-1H-imidazole
• 英文别名: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole
• CAS: 1158813-98-9
• 化学式: C₂₄H₁₈N₄O₅
• 分子量: 442.431
• InChiKey: GQRXLHIQLJOIJZ-SYZQJQIISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-甲氧基肉桂醛 、 4,4'-dinitrobenzil 在 ammonium acetate 作用下， 以 溶剂黄146 为溶剂， 以52%的产率得到(E)-2-(4-methoxystyryl)-4,5-bis(4-nitrophenyl)-1H-imidazole
  参考文献：
  名称：

  Novel Charge-Transfer Chromophores Featuring Imidazole as π-Linkage

  摘要：

  Overall 21 imidazole-based chromophores have been synthesized and fully characterized. The imidazole core was systematically substituted with donors (NMe(2) and OMe) and acceptors (NO(2) and CN groups) additionally separated from the imidazole by pi-spacers such as 1,4-phenylen, styryl or thiophen-2-yl in order to finely tune their intramolecular charge transition. The target chromophores were further investigated by UV/Vis spectroscopy as potentially NLO-active compounds.

  DOI：

  10.3987/com-08-11609