2-(4-(4-((4-(N,N-dimethylamino)phenyl)ethynyl)phenyl)-2-((4-((4-(N,N-dimethylamino)phenyl)ethynyl)phenyl)ethynyl)but-1-en-3-ynyl)-1-methyl-1H-imidazole-4,5-dicarbonitrile | 1226622-36-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-(4-((4-(N,N-dimethylamino)phenyl)ethynyl)phenyl)-2-((4-((4-(N,N-dimethylamino)phenyl)ethynyl)phenyl)ethynyl)but-1-en-3-ynyl)-1-methyl-1H-imidazole-4,5-dicarbonitrile
• 英文别名: 2-[4-[4-[2-[4-(Dimethylamino)phenyl]ethynyl]phenyl]-2-[2-[4-[2-[4-(dimethylamino)phenyl]ethynyl]phenyl]ethynyl]but-1-en-3-ynyl]-1-methylimidazole-4,5-dicarbonitrile；2-[4-[4-[2-[4-(dimethylamino)phenyl]ethynyl]phenyl]-2-[2-[4-[2-[4-(dimethylamino)phenyl]ethynyl]phenyl]ethynyl]but-1-en-3-ynyl]-1-methylimidazole-4,5-dicarbonitrile
• CAS: 1226622-36-1
• 化学式: C₄₄H₃₂N₆
• 分子量: 644.778
• InChiKey: LBHXIKDLBBUESW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  50
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  71.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(2,2-dibromovinyl)-1-methyl-1H-imidazole-4,5-dicarbonitrile 、 4-[(4'-ethynylbiphenyl-4-yl)ethynyl]-N,N-dimethylaniline 在 copper(l) iodide 、 bis(triphenylphosphine)palladium(II) dichloride 作用下， 以 四氢呋喃 、 三乙胺 为溶剂， 反应 2.0h， 以74%的产率得到2-(4-(4-((4-(N,N-dimethylamino)phenyl)ethynyl)phenyl)-2-((4-((4-(N,N-dimethylamino)phenyl)ethynyl)phenyl)ethynyl)but-1-en-3-ynyl)-1-methyl-1H-imidazole-4,5-dicarbonitrile
  参考文献：
  名称：

  Branched charge-transfer chromophores featuring a 4,5-dicyanoimidazole unit

  摘要：

  Six branched and stable push-pull chromophores featuring 4,5-dicyanoimidazole as an acceptor moiety, an N,N-dimethylamino group as a donor and various pi-conjugated linkers are reported. Systematic extension of the pi-linker revealed that the optical and electrochemical properties of A-pi-D chromophores are mainly affected by the nature of the pi-conjugated backbone (length and planarity) as well as by the number of appended donors. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.02.067