1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-(1-methylethyl)-3-phenyl- | 87629-19-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-(1-methylethyl)-3-phenyl-
• 英文别名: 3-phenyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
• CAS: 87629-19-4
• 化学式: C₁₅H₁₉N₃
• 分子量: 241.336
• InChiKey: YPDBXEGZQXRJBG-UHFFFAOYSA-N

物化性质

• 沸点：
  410.6±45.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲酸 、 1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-(1-methylethyl)-3-phenyl- 在 聚合甲醛 作用下， 反应 3.0h， 以92%的产率得到5-methyl-3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  Synthesis, in vitro [3H]prazosin displacement, and in vivo activity of 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines, a new class of antihypertensive agents

  摘要：

  A series of new 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines was synthesized and screened for in vitro [3H]prazosin displacement activity. The results correlated well with their antihypertensive activity in spontaneous hypertensive rats. 1-Benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyrid ine (50, L 16052) was selected for further pharmacological evaluations of its potency when administered orally to conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00145a015
• 作为产物：
  描述：

  N-Acetyl-3-benzoyl-4-piperidone 在 盐酸 、 sodium hydride 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 7.5h， 生成 1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-(1-methylethyl)-3-phenyl-
  参考文献：
  名称：

  Synthesis, in vitro [3H]prazosin displacement, and in vivo activity of 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines, a new class of antihypertensive agents

  摘要：

  A series of new 3-aryl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines was synthesized and screened for in vitro [3H]prazosin displacement activity. The results correlated well with their antihypertensive activity in spontaneous hypertensive rats. 1-Benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyrid ine (50, L 16052) was selected for further pharmacological evaluations of its potency when administered orally to conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00145a015