methyl 12-benzoyl-9-hydroxy-11-(4-methoxyphenyl)-4,6-dimethyl-3,5,10-trioxo-4,6,8,11-tetraazatricyclo[7.2.1.0(2,7)]dodec-2(7)-ene-1-carboxylate | 1319722-16-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 12-benzoyl-9-hydroxy-11-(4-methoxyphenyl)-4,6-dimethyl-3,5,10-trioxo-4,6,8,11-tetraazatricyclo[7.2.1.0(2,7)]dodec-2(7)-ene-1-carboxylate
• 英文别名: Methyl 12-benzoyl-9-hydroxy-11-(4-methoxy-phenyl)-4,6-dimethyl-3,5,10-trioxo-4,6,8,11-tetra-azatricyclo[7,2,1,0 2,7]dodec-2(7)-ene-1-carboxylate；methyl 12-benzoyl-9-hydroxy-11-(4-methoxyphenyl)-4,6-dimethyl-3,5,10-trioxo-4,6,8,11-tetrazatricyclo[7.2.1.02,7]dodec-2(7)-ene-1-carboxylate
• CAS: 1319722-16-1
• 化学式: C₂₆H₂₄N₄O₈
• 分子量: 520.499
• InChiKey: DUOJLKYHMHSYSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  146
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  methyl 12-benzoyl-9-hydroxy-11-(4-methoxyphenyl)-4,6-dimethyl-3,5,10-trioxo-4,6,8,11-tetraazatricyclo[7.2.1.0(2,7)]dodec-2(7)-ene-1-carboxylate 以 间二甲苯 为溶剂， 以52%的产率得到3-benzoyl-4-hydroxy-1-(4-methoxyphenyl)1',3'-dimethyl-spiro[pyrrole-2,5'-pyrrolo[2,3-d]pyrimidine]-2',4',5,6'(1H,1'H,3'H,7'H)-tetraone
  参考文献：
  名称：

  Five-membered 2,3-dioxo heterocycles: LXXVI. Reaction of methyl 1-aryl-3-benzoyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates with 6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

  摘要：

  Methyl 1-aryl-3-benzoyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates reacted with 6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione to give methyl 11-aryl-12-benzoyl-9-hydroxy-4,6-dimethyl-3,5,10-trioxo-4,6,8,11-tetraazatricyclo[7.2.1.0(2,7)]dodec-2(7)-ene-1-carboxylates which underwent thermal recyclization to 1-aryl-3-benzoyl-4-hydroxy-1',3'-dimethylspiro[pyrrole-2,5'-pyrrolo[2,3-d]pyrimidine]-2',4',5,6'(1H,1'H,3'H,7'H)-tetraones.

  DOI：

  10.1134/s1070428011060170
• 作为产物：
  描述：

  1,3-二甲基-6-氨基脲嘧啶 、 methyl 3-benzoyl-1-(4-methoxyphenyl)-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylate 以 1,2-二氯乙烷 为溶剂， 以69%的产率得到methyl 12-benzoyl-9-hydroxy-11-(4-methoxyphenyl)-4,6-dimethyl-3,5,10-trioxo-4,6,8,11-tetraazatricyclo[7.2.1.0(2,7)]dodec-2(7)-ene-1-carboxylate
  参考文献：
  名称：

  Five-membered 2,3-dioxo heterocycles: LXXVI. Reaction of methyl 1-aryl-3-benzoyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates with 6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

  摘要：

  Methyl 1-aryl-3-benzoyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates reacted with 6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione to give methyl 11-aryl-12-benzoyl-9-hydroxy-4,6-dimethyl-3,5,10-trioxo-4,6,8,11-tetraazatricyclo[7.2.1.0(2,7)]dodec-2(7)-ene-1-carboxylates which underwent thermal recyclization to 1-aryl-3-benzoyl-4-hydroxy-1',3'-dimethylspiro[pyrrole-2,5'-pyrrolo[2,3-d]pyrimidine]-2',4',5,6'(1H,1'H,3'H,7'H)-tetraones.

  DOI：

  10.1134/s1070428011060170