methyl 4-methoxymethyl-1,4-dihydro-2',6'-dioxo-4',4'-dimethyl-2'H,3H,6'H-spirobenzo[f]quinoline-2,1'-cyclohexyl-3'-carboxylate | 898125-76-3

• 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: methyl 4-methoxymethyl-1,4-dihydro-2',6'-dioxo-4',4'-dimethyl-2'H,3H,6'H-spirobenzo[f]quinoline-2,1'-cyclohexyl-3'-carboxylate
• 英文别名: Methyl 4-(methoxymethyl)-2',2'-dimethyl-4',6'-dioxospiro[1,3-dihydrobenzo[f]quinoline-2,5'-cyclohexane]-1'-carboxylate
• CAS: 898125-76-3
• 化学式: C₂₄H₂₇NO₅
• 分子量: 409.482
• InChiKey: NQTSVHSXDCOPEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲醇 、 聚合甲醛 、 2,2-二甲基-4,6-二氧环己烷-1-羧酸甲酯 、 2-萘胺 以 甲醇 为溶剂， 反应 0.67h， 以93%的产率得到methyl 4-methoxymethyl-1,4-dihydro-2',6'-dioxo-4',4'-dimethyl-2'H,3H,6'H-spirobenzo[f]quinoline-2,1'-cyclohexyl-3'-carboxylate
  参考文献：
  名称：

  Condensation of 2-naphthylamine or N-benzyl-2-naphthylamines with formaldehyde and methyl 2,2-dimethyl-4,6-dioxocyclohexane-3-carboxylate

  摘要：

  Condensation of 2-naphthylamine with formaldehyde and methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate afforded depending on the reaction conditions methyl 9,9-dimethyl-11-oxo-8,9,10,12-tetrahydro-7H-benzo[a]acridine-10-carboxylate or 4-alkoxymethyl-1,4-dihydro-2',6'-dioxo-4',4'-dimethyl-2'H,3H,6'Hspirobenzo[f]quinoline-2,1'-cyclohexyl-3'-carboxylate. The condensation of N-benzyl-2-naphthylamines with formaldehyde and methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate provided with the quantitative yield the corresponding methyl 4-benzyl-1,4-dihydro-2',6'-dioxo-4',4'-dimethyl-2'H,3H,6'H-spirobenzo[f]quinoline-2,1'-cyclohexyl-3'-carboxylates.

  DOI：

  10.1134/s1070428012110085