7-acetyl-2,4,6,7,8,9-hexahydro-8-hydroxy-5,8-dimethyl-2-phenyl-6-(4-ethylphenyl)-1H-pyrazolo[3,4-c]isoquinolin-1-one | 1367796-37-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7-acetyl-2,4,6,7,8,9-hexahydro-8-hydroxy-5,8-dimethyl-2-phenyl-6-(4-ethylphenyl)-1H-pyrazolo[3,4-c]isoquinolin-1-one
• 英文别名: 7-Acetyl-2,4,6,7,8,9-hexahydro-8-hydroxy-5,8-dimethyl-2-phenyl-6-(4-ethylphenyl)-1h-pyrazolo-[3,4-c] isoquinolin-1-one；7-acetyl-6-(4-ethylphenyl)-8-hydroxy-5,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one
• CAS: 1367796-37-9
• 化学式: C₂₈H₂₉N₃O₃
• 分子量: 455.557
• InChiKey: YZWAYLMBCPUGSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  82.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基-1-苯基-2-吡唑啉-5-酮 、 2,4-二乙酰基-5-羟基-5-甲基-3-(4-乙基苯基)环己酮 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 以88%的产率得到7-acetyl-2,4,6,7,8,9-hexahydro-8-hydroxy-5,8-dimethyl-2-phenyl-6-(4-ethylphenyl)-1H-pyrazolo[3,4-c]isoquinolin-1-one
  参考文献：
  名称：

  Synthesis of 1H-pyrazolo[3,4-c]isoquinolin-1-ones by the condensation of cyclohexanone derivatives with 3-amino-1-phenyl-1H-pyrazol-5(4H)-one

  摘要：

  The synthesis of 1H-pyrazolo[3,4-c]isoquinolin-1-ones was carried out by reacting 3-aryl(heteryl)-2,4-diacetyl-5-hydroxy-5-methylcyclohexanones with 3-amino-1-phenyl-1H-pyrazol-5(4H)-one. The structure of the 7-acetyl-2,4,6,7,8,9-hexahydro-8-hydroxy-5,8-dimethyl-2-phenyl-6-(fur-2-yl)-1H-pyrazolo[3,4-c]isoquinolin-1-one obtained was proved by X-ray diffraction analysis.

  DOI：

  10.1134/s1070363212020211