methyl 12-benzoyl-9-hydroxy-5,5-dimethyl-3,10-dioxo-11-p-chlorophenyl-8,11-diazatricyclo-[7.2.1.0^2,7]dodec-2(7)-ene-1-carboxylate | 1119792-12-9

• 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-5,5-dimethyl-3,10-dioxo-11-p-chlorophenyl-8,11-diazatricyclo-[7.2.1.0^2,7]dodec-2(7)-ene-1-carboxylate
• 英文别名: methyl 12-benzoyl-11-(-chlorophenyl)-9-hydroxy-5,5-dimethyl-3,10-dioxo-8,11-diazatricyclo[7.2.1.0^2,7]dodec-2(7)-ene-1-carboxylate；Methyl 12-benzoyl-11-(4-chlorophenyl)-9-hydroxy-5,5-dimethyl-3,10-dioxo-8,11-diazatricyclo[7.2.1.02,7]dodec-2(7)-ene-1-carboxylate
• CAS: 1119792-12-9
• 化学式: C₂₇H₂₅ClN₂O₆
• 分子量: 508.958
• InChiKey: JJYILMMFQRDHRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-benzoyl-5-methoxycarbonyl-1-p-chlorophenyl-2,3-dihydro-2,3-pyrroledione 、 3-氨基-5,5-二甲基-2-环己烯-1-酮 以 苯 为溶剂， 反应 0.02h， 以75%的产率得到methyl 12-benzoyl-9-hydroxy-5,5-dimethyl-3,10-dioxo-11-p-chlorophenyl-8,11-diazatricyclo-[7.2.1.0^2,7]dodec-2(7)-ene-1-carboxylate
  参考文献：
  名称：

  Nucleophilic [3+3]-addition of N-Unsubstituted enamine to monocyclic 1H-Pyrrole-2,3-diones

  摘要：

  DOI：

  10.1134/s1070428008050278

文献信息

• Nucleophilic [3+3]-addition of N-Unsubstituted enamine to monocyclic 1H-Pyrrole-2,3-diones
  作者：E. S. Denislamova、Yu. N. Bannikova、A. N. Maslivets

  DOI：10.1134/s1070428008050278

  日期：2008.5
• Five-membered 2.3-dioxo heterocycles: LXVIII. Three pathways in the reaction of methyl 3-aroyl-1-aryl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates with 3-amino-5,5-dimethylcyclohex-2-en-1-one
  作者：E. S. Denislamova、A. N. Maslivets

  DOI：10.1134/s1070428010030152

  日期：2010.3

  Methyl 3-aroyl-1-aryl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates reacted with 3-amino-5,5-dimethylcyclohex-2-en-1-one having no substituent on the nitrogen atom to give 3-aroyl-4-arylamino-6',6'-dimethyl-6',7'-dihydro-5H-spiro[furan-2,3'-indole]-2',4',5'(1'H,5'H)-triones or methyl 12-aroyl-11-aryl-9-hydroxy-5,5-dimethyl-3,10-dioxo-8,11-diazatricyclo[7.2.1.0(2,7)]dodec-2(7)-ene-1-carboxylates. The latter underwent thermal recyclization to 3'-aroyl-1'-aryl-4'-hydroxy-6,6-dimethyl-6,7-dihydrospiro[indole-3,2'-pyrrole]-2,4,5'(1H,1'H,5H)-triones.