7-acetyl-2,4,6,7,8,9-hexahydro-8-hydroxy-5,8-dimethyl-6-(3-methoxyphenyl)-2-phenyl-1H-pyrazolo-[3,4-c] isoquinolin-1-one | 1367796-38-0

• 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-6-(3-methoxyphenyl)-2-phenyl-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-di-methyl-6-(3-methoxyphenyl)-2-phenyl-1h-pyrazolo-[3,4-c] isoquinolin-1-one；7-acetyl-8-hydroxy-6-(3-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one
• CAS: 1367796-38-0
• 化学式: C₂₇H₂₇N₃O₄
• 分子量: 457.529
• InChiKey: AEBUEJAYMIRZEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氨基-1-苯基-2-吡唑啉-5-酮 、 2,4-diacetyl-5-hydroxy-5-methyl-3-(3-methoxyphenyl)cyclohexanone 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 以84%的产率得到7-acetyl-2,4,6,7,8,9-hexahydro-8-hydroxy-5,8-dimethyl-6-(3-methoxyphenyl)-2-phenyl-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

文献信息

• 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
  作者：V. D. Dyachenko、S. M. Sukach

  DOI：10.1134/s1070363212020211

  日期：2012.2

  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.