5-[4,5-Bis[4-(dimethylamino)phenyl]-1-methylimidazol-2-yl]thiophene-2-carbaldehyde | 335356-32-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[4,5-Bis[4-(dimethylamino)phenyl]-1-methylimidazol-2-yl]thiophene-2-carbaldehyde
• CAS: 335356-32-6
• 化学式: C₂₅H₂₆N₄OS
• 分子量: 430.574
• InChiKey: FIZDFCSTRYCMPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-硝基苄基三苯基溴蓊盐 、 5-[4,5-Bis[4-(dimethylamino)phenyl]-1-methylimidazol-2-yl]thiophene-2-carbaldehyde 在 15-冠醚-5 、 potassium tert-butylate 作用下， 以 二氯甲烷 为溶剂， 以43%的产率得到4-[5-[4-(dimethylamino)phenyl]-1-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]thiophen-2-yl]imidazol-4-yl]-N,N-dimethylaniline
  参考文献：
  名称：

  New class of imidazoles incorporated with thiophenevinyl conjugation pathway for robust nonlinear optical chromophores

  摘要：

  A new series of thermally stable heterocyclic imidazole-based nonlinear optical chromophores has been developed. These chromophores possess a thiophene based stilbene conjugation pathway with a nitro acceptor group attached to the phenyl end. This feature leads to robust chromophores with high thermal stability and enhanced molecular nonlinearity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02143-2
• 作为产物：
  描述：

  4-[4-[4-(dimethylamino)phenyl]-2-thiophen-2-yl-1H-imidazol-5-yl]-N,N-dimethylaniline 在 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 5-[4,5-Bis[4-(dimethylamino)phenyl]-1-methylimidazol-2-yl]thiophene-2-carbaldehyde
  参考文献：
  名称：

  New class of imidazoles incorporated with thiophenevinyl conjugation pathway for robust nonlinear optical chromophores

  摘要：

  A new series of thermally stable heterocyclic imidazole-based nonlinear optical chromophores has been developed. These chromophores possess a thiophene based stilbene conjugation pathway with a nitro acceptor group attached to the phenyl end. This feature leads to robust chromophores with high thermal stability and enhanced molecular nonlinearity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02143-2