3-<2-(4-nitrophenyl)ethenyl>-1H-indole | 96616-21-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-<2-(4-nitrophenyl)ethenyl>-1H-indole
• 英文别名: 3-(4-nitro-styryl)-indole；3-<2-(p-nitrophenyl)-vinyl>-indol；3-[2-(4-nitrophenyl)ethenyl]-1H-indole
• CAS: 96616-21-6
• 化学式: C₁₆H₁₂N₂O₂
• 分子量: 264.283
• InChiKey: IQWQFXRINVQCSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.25
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.93
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-<2-(4-nitrophenyl)ethenyl>-1H-indole 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以85%的产率得到4-<(2-1H-indol-3-yl)ethyl>benzenamine
  参考文献：
  名称：

  Novel bis[1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamines] as antitrypanosomal agents

  摘要：

  A series of novel 1,1'-(4,1-phenylene)bis [1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamines] was prepared and evaluated for activity against Trypanosoma rhodesiense in mice. The importance of the bis structure and the nature of the spacer between the two phenyl rings for optimal activity have been revealed. The potent parenteral activity of several analogues within this series as well as preliminary indication of oral activity lends encouragement to further development of this structural class.

  DOI：

  10.1021/jm00149a032
• 作为产物：
  描述：

  3-吲哚甲醛 、 对硝基苯乙酸 以 various solvent(s) 为溶剂， 反应 4.5h， 以57%的产率得到3-<2-(4-nitrophenyl)ethenyl>-1H-indole
  参考文献：
  名称：

  Novel bis[1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamines] as antitrypanosomal agents

  摘要：

  A series of novel 1,1'-(4,1-phenylene)bis [1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamines] was prepared and evaluated for activity against Trypanosoma rhodesiense in mice. The importance of the bis structure and the nature of the spacer between the two phenyl rings for optimal activity have been revealed. The potent parenteral activity of several analogues within this series as well as preliminary indication of oral activity lends encouragement to further development of this structural class.

  DOI：

  10.1021/jm00149a032