9-methyl-2,7-diphenyl-7H-pyrazolo[4',3':5,6]pyrido[4,3-d]pyrimidine | 1280127-87-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 9-methyl-2,7-diphenyl-7H-pyrazolo[4',3':5,6]pyrido[4,3-d]pyrimidine
• 英文别名: 3-methyl-5,12-diphenyl-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8,10,12-hexaene
• CAS: 1280127-87-8
• 化学式: C₂₁H₁₅N₅
• 分子量: 337.384
• InChiKey: AFNQAYJSXWPTMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde 、 苯甲酰胺 以 乙醇 为溶剂， 反应 1.25h， 以67%的产率得到9-methyl-2,7-diphenyl-7H-pyrazolo[4',3':5,6]pyrido[4,3-d]pyrimidine
  参考文献：
  名称：

  Synthetic utility of a heterocyclic o-aminoaldehyde: synthesis of pyrazolopyridopyrimidines, pyrazolonaphthyridines, and pyrazolopyrimidonaphthyridinones

  摘要：

  A series of various polysubstituted pyrazolo[3,4-h][1,6]naphthyridines, benzo[b]pyrazolo[3,4-h][1,6]naphthyridines, and pyrazolo[4',3':5,6]pyrido[4,3-d]pyrimidines were synthesized by Friedlander condensation of 4-amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde (o-aminoaldehyde) with active methylene compounds. The o-aminoaldehyde was functionalized to o-aminonitrile and o-aminocarboxamide with malononitrile and cyanoacetamide, respectively, which on condensation with monosubstituted ureas and acetic anhydride, respectively, afforded pyrazolo[3,4-h]pyrimido[4,5-b][1,6]naphthyridines.

  DOI：

  10.1007/s00706-010-0443-9