4-hydroxy-1-(2-hydroxyphenyl)-8',9'-dimethoxy-3-(4-methoxybenzoyl)-5',5'-dimethyl-5',6'-dihydro-1H-spiro[pyrrole-2,2'-pyrrolo[2,1-a]isoquinoline]-3',5-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 4-hydroxy-1-(2-hydroxyphenyl)-8',9'-dimethoxy-3-(4-methoxybenzoyl)-5',5'-dimethyl-5',6'-dihydro-1H-spiro[pyrrole-2,2'-pyrrolo[2,1-a]isoquinoline]-3',5-dione
• 化学式: C₃₃H₃₀N₂O₈
• 分子量: 582.61
• InChiKey: JKCQVTKBDYYPBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.42
• 重原子数：
  43.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  125.84
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  1,3,3-trimethyl-6,7-dimethoxy-3,4-dihydroisoquinoline 、 3-(4-Methoxy-benzoyl)-benzo[b]pyrrolo[1,2-d][1,4]oxazine-1,2,4-trione 以 苯 为溶剂， 以93%的产率得到4-hydroxy-1-(2-hydroxyphenyl)-8',9'-dimethoxy-3-(4-methoxybenzoyl)-5',5'-dimethyl-5',6'-dihydro-1H-spiro[pyrrole-2,2'-pyrrolo[2,1-a]isoquinoline]-3',5-dione
  参考文献：
  名称：

  Five-membered 2,3-dioxo heterocycles: LIII. Reaction of 3-Aroyl-1H-pyrrolo[2,1-c][1,4]benzoxazine-1,2,4-triones with substituted 1,3,3-trimethyl-3,4-dihydroisoquinolines. A new approach to 13-aza analogs of steroids

  摘要：

  3-Aroyl-1H-pyrrolo[2,1-c][1,4]benzoxazine-1,2,4-triones reacted with substituted 1,3,3-trimethyl-3,4-dihydroisoquinolines to give the corresponding 3-aroyl-4-hydroxy-1-(2-hydroxyphenyl)-5',5'-dimethyl-5',6'-dihydro-1H-spiro[pyrrole-2,2'-pyrrolo[2, 1-a]isoquinoline]-3',5-diones. 7',8'-Benzo derivatives of the latter may be regarded as 13-azagonane analogs having a spiro-fused pyrrole ring at C-16.

  DOI：

  10.1134/s1070428007090114