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

• 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)-5',5'-dimethyl-8',9'-dimethoxy-3-(4-methoxybenzoyl)-3',5-dioxo-1,5,5',6'-tetrahydro-3'H-spiro[pyrrole-2,2'-pyrrolo-[2,1-a]isoquinoline]-1'-carboxamide
• 化学式: C₃₄H₃₁N₃O₉
• 分子量: 625.635
• InChiKey: GKSKFYXRYYQYJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  46.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  168.93
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  2-(6,7-Dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide 、 3-(4-Methoxy-benzoyl)-benzo[b]pyrrolo[1,2-d][1,4]oxazine-1,2,4-trione 以 乙腈 为溶剂， 反应 0.03h， 以94%的产率得到4-hydroxy-1-(2-hydroxyphenyl)-5',5'-dimethyl-8',9'-dimethoxy-3-(4-methoxybenzoyl)-3',5-dioxo-1,5,5',6'-tetrahydro-3'H-spiro[pyrrole-2,2'-pyrrolo-[2,1-a]isoquinoline]-1'-carboxamide
  参考文献：
  名称：

  Reaction of 3-aroyl-1H-pyrrolo[2,1-c][1,4]benzoxazine-1,2,4-triones with substituted acetamides of 3,4-dihydroisoquinolines

  摘要：

  3-Aroyl-1H-pyrrolo[2,1-c][1,4]benzoxazine-1,2,4-triones react with substituted [3,4-dihydroisoquinolin-1(2H)-ylidene]acetamides and {2,3-dihydrobenzo[f]isoquinolin-4(1H)-ylidene}acetamide to produce substituted 1,5,5',6'-tetrahydro-3'H-spiro(pyrrole-2,2'-pyrrolo[2,1-a]-isoquinoline)-1'-carboxamides and 13-aza-analogs of steroids, substituted 5H-spiro(benzo[f]pyrrolo[2,1-a]isoquinoline-9,2'-pyrrole)-10-carboxamides respectively.

  DOI：

  10.1134/s1070428015110081

文献信息

• Reaction of 3-aroyl-1H-pyrrolo[2,1-c][1,4]benzoxazine-1,2,4-triones with substituted acetamides of 3,4-dihydroisoquinolines
  作者：V. V. Konovalova、A. V. Kharitonova、Yu. V. Shklyaev、A. N. Maslivets

  DOI：10.1134/s1070428015110081

  日期：2015.11

  3-Aroyl-1H-pyrrolo[2,1-c][1,4]benzoxazine-1,2,4-triones react with substituted [3,4-dihydroisoquinolin-1(2H)-ylidene]acetamides and 2,3-dihydrobenzo[f]isoquinolin-4(1H)-ylidene}acetamide to produce substituted 1,5,5',6'-tetrahydro-3'H-spiro(pyrrole-2,2'-pyrrolo[2,1-a]-isoquinoline)-1'-carboxamides and 13-aza-analogs of steroids, substituted 5H-spiro(benzo[f]pyrrolo[2,1-a]isoquinoline-9,2'-pyrrole)-10-carboxamides respectively.