2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile | 1415404-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
• CAS: 1415404-12-4
• 化学式: C₂₈H₂₁N₃O₂
• 分子量: 431.494
• InChiKey: BKMGQNUWQURUNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  70.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-甲氧基苯甲醛 、 3-(1H-吲哚-3-基)-3-氧丙腈 、 对甲氧基苯乙酮 在 ammonium acetate 、 碘 作用下， 以 溶剂黄146 为溶剂， 反应 6.0h， 以45%的产率得到2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
  参考文献：
  名称：

  Four-Component Synthesis of Star-Shaped 2-(Indol-3-yl)pyridine Derivatives in One Pot

  摘要：

  A protocol for the synthesis of star-shaped 2-(indol-3-yl)pyridine derivatives 4, neat, in the presence of iodine as a catalyst was developed (method A). Based on this strategy, compounds 4-aryl-2-(1H-indol-3-yl)-6-arylnicotinonitriles 6 were synthesized from 3-(cynonoacetyl)indole 1, aromatic aldehyde 2, aromatic ketone 5, and AcONH4 under the conditions of both methods A (solvent free) and B (using AcOH as solvent). The compounds 4-aryl-2-(1H-indol-3-yl)-6-(thiophen-2-yl)nicotinonitriles 8 were also prepared under the conditions of method B.

  DOI：

  10.1080/00397911.2011.607933