5-(4-methoxy-phenyl)-1,8,8-trimethyl-4,5,6,7,8,9-hexahydro-pyrazolo<3,4-c>isoquinoline-6-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(4-methoxy-phenyl)-1,8,8-trimethyl-4,5,6,7,8,9-hexahydro-pyrazolo<3,4-c>isoquinoline-6-one
• 英文别名: 5-(4-methoxyphenyl)-1,8,8-trimethyl-3,5,7,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-6-one
• 化学式: C₂₀H₂₃N₃O₂
• 分子量: 337.422
• InChiKey: OVHKJRCBVNGXCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 1-(4-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanimine 以 乙醇 为溶剂， 以82%的产率得到5-(4-methoxy-phenyl)-1,8,8-trimethyl-4,5,6,7,8,9-hexahydro-pyrazolo<3,4-c>isoquinoline-6-one
  参考文献：
  名称：

  Synthesis of pyrazolo[3,4-c]isoquinoline and pyrazolo[3,4-b]pyridine derivatives from azomethines and CH-acidic compounds

  摘要：

  Donor substituted arylidene aminopyrazoles 1a-c and CH-acidic 1,3-dicarbonyl compounds 2a-e give in ethanol in an addition/cyclization reaction pyrazolo[3,4-c]isoquinolines 4a-i and pyrazolo[3,4-b]pyridine derivatives 5a, b, respectively. Using ethyl cyanoacetate as CH-acidic component, cinnamate 6 and the cyano substituted pyrazolo[3,4-b]pyridine 7 are formed.

  DOI：

  10.1007/bf00816412

文献信息

• Synthesis of pyrazolo[3,4-c]isoquinoline and pyrazolo[3,4-b]pyridine derivatives from azomethines and CH-acidic compounds
  作者：Lothar Hennig、Mario Alva-Astudillo、Reinhard Meusinger、Gerhard Mann

  DOI：10.1007/bf00816412

  日期：——

  Donor substituted arylidene aminopyrazoles 1a-c and CH-acidic 1,3-dicarbonyl compounds 2a-e give in ethanol in an addition/cyclization reaction pyrazolo[3,4-c]isoquinolines 4a-i and pyrazolo[3,4-b]pyridine derivatives 5a, b, respectively. Using ethyl cyanoacetate as CH-acidic component, cinnamate 6 and the cyano substituted pyrazolo[3,4-b]pyridine 7 are formed.