1,4-dimethyl-γ-carboline | 147057-31-6

• 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: 1,4-dimethyl-γ-carboline
• 英文别名: SK1M4M；1,4-dimethyl-5H-pyrido[4,3-b]indole
• CAS: 147057-31-6
• 化学式: C₁₃H₁₂N₂
• 分子量: 196.252
• InChiKey: JTDZFYLVOCFRRG-UHFFFAOYSA-N

物化性质

• 沸点：
  400.5±40.0 °C(predicted)
• 密度：
  1.213±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,4-dimethyl-γ-carboline 、 碳酸二甲酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1,4,5-trimethyl-5H-pyrido[4,3-b]indole
  参考文献：
  名称：

  Polymethylated γ-Carbolines with Potent Anti-Bovine Viral Diarrhea Virus (BVDV) Activity

  摘要：

  Several anti-BVDV agents with a polymethylated gamma-carboline skeleton were synthesized, and their anti-BVDV activity was evaluated. The most potent antiviral agent, SK3M4M5M (20), was synthesized by Pd-catalyzed Buchwald-Hartwig amination reaction followed by annulation reaction as key steps. The structure-activity relationship was analyzed.

  DOI：

  10.3987/com-08-s(f)68
• 作为产物：
  描述：

  1-(1H-indol-3-yl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanimine 在 磷酸 作用下， 以 水 为溶剂， 以4%的产率得到1,4-dimethyl-γ-carboline
  参考文献：
  名称：

  Polymethylated γ-Carbolines with Potent Anti-Bovine Viral Diarrhea Virus (BVDV) Activity

  摘要：

  Several anti-BVDV agents with a polymethylated gamma-carboline skeleton were synthesized, and their anti-BVDV activity was evaluated. The most potent antiviral agent, SK3M4M5M (20), was synthesized by Pd-catalyzed Buchwald-Hartwig amination reaction followed by annulation reaction as key steps. The structure-activity relationship was analyzed.

  DOI：

  10.3987/com-08-s(f)68