3,4-Diphenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridine | 821774-48-5

• 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: 3,4-Diphenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridine
• 英文别名: 1H-Pyrazolo[3,4-b]pyridine, 3,4-diphenyl-6-(trifluoromethyl)-；3,4-diphenyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
• CAS: 821774-48-5
• 化学式: C₁₉H₁₂F₃N₃
• 分子量: 339.32
• InChiKey: MPOFPAFDHMXZNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯甲酰乙腈 在 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 3,4-Diphenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridine
  参考文献：
  名称：

  Synthesis of Some Novel Fluorinated Pyrazolo[3,4‐b]Pyridines

  摘要：

  Reaction of 5-amino-3-substituted pyrazoles (1a-c) and 5-amino-1,3-disubstituted pyrazoles (1d-i) with fluorinated-beta-diketones (2) results in the formation of the single isomer of pyrazolo[3,4-b]pyridines (4a-h). A one-pot procedure for the synthesis of title compounds starting from alpha-cyanoacetophenones along with a possible mechanistic pathway for the formation of the title compounds is described.

  DOI：

  10.1081/scc-200039427

文献信息

• Synthesis of Some Novel Fluorinated Pyrazolo[3,4‐b]Pyridines
  作者：S. P. Singh、Rajesh Naithani、Ranjana Aggarwal、Om Prakash

  DOI：10.1081/scc-200039427

  日期：2004.12.31

  Reaction of 5-amino-3-substituted pyrazoles (1a-c) and 5-amino-1,3-disubstituted pyrazoles (1d-i) with fluorinated-beta-diketones (2) results in the formation of the single isomer of pyrazolo[3,4-b]pyridines (4a-h). A one-pot procedure for the synthesis of title compounds starting from alpha-cyanoacetophenones along with a possible mechanistic pathway for the formation of the title compounds is described.