1-(4-bromophenyl)-4'-hydroxy-1'-(4-methoxyphenyl)-6,6-dimethyl-3'-(1-oxo-3-phenylprop-2-en-2-yl)-6,7-dihydrospiro[indole-3,2'-pyrrole]-2,4,5'(1H,1'H,5H)-trione | 1377181-88-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(4-bromophenyl)-4'-hydroxy-1'-(4-methoxyphenyl)-6,6-dimethyl-3'-(1-oxo-3-phenylprop-2-en-2-yl)-6,7-dihydrospiro[indole-3,2'-pyrrole]-2,4,5'(1H,1'H,5H)-trione
• CAS: 1377181-88-8
• 化学式: C₃₅H₂₉BrN₂O₆
• 分子量: 653.529
• InChiKey: XDJDXBFFLZYFKA-GIJQJNRQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.33
• 重原子数：
  44.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  104.22
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  以 甲苯 、 苯 为溶剂， 反应 1.17h， 生成 1-(4-bromophenyl)-4'-hydroxy-1'-(4-methoxyphenyl)-6,6-dimethyl-3'-(1-oxo-3-phenylprop-2-en-2-yl)-6,7-dihydrospiro[indole-3,2'-pyrrole]-2,4,5'(1H,1'H,5H)-trione
  参考文献：
  名称：

  Five-membered 2,3-dioxo heterocycles: LXXXV. Synthesis of methyl 1-aryl-4,5-dioxo-3-(1-oxo-3-phenylprop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-2-carboxylates and their reaction with 3-amino-5,5-dimethylcyclohex-2-en-1-ones. Molecular and crystalline structure of 4′-hydroxy-1′-(4-methoxyphenyl)-6,6-dimethyl-3′-(1-oxo-3-phenylprop-2-en-1-yl)-1-phenyl-6,7-dihydrospiro[indole-3,2′-pyrrole]-2,4,5′(1H,1′H,5H)-trione

  摘要：

  Treatment of methyl 2-arylamino-4-oxo-6-phenylhexa-2,5-dienoates with oxalyl chloride gave methyl 1-aryl-4,5-dioxo-3-(1-oxo-3-phenylprop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-2-carboxylates which reacted with 3-benzylamino- and 3-arylamino-5,5-dimethylcyclohex-2-en-1-ones to produce 1'-aryl-1-benzyl- and 1,1'-diaryl-4'-hydroxy-6,6-dimethyl-3'-(1-oxo-3-phenylprop-2-en-1-yl)-6,7-dihydrospiro[indole-3,2'-pyrrole]-2,4,5'(1H,1'H,5H)-triones.

  DOI：

  10.1134/s1070428012040173