4-(10,10-dimethyl-8-oxo-7,8,9,10,11,12-hexahydrobenzo[c]acridin-7-yl)-2-methoxyphenyl isobutyrate | 893772-52-6

• 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: 4-(10,10-dimethyl-8-oxo-7,8,9,10,11,12-hexahydrobenzo[c]acridin-7-yl)-2-methoxyphenyl isobutyrate
• 英文别名: 7,10,11,12-Tetrahydro-7-[3-methoxy-4-(1-oxoisobutoxy)phenyl]-10,10-dimethyl-Benz[c]acridin-8(9H)-one；[4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydrobenzo[c]acridin-7-yl)-2-methoxyphenyl] 2-methylpropanoate
• CAS: 893772-52-6
• 化学式: C₃₀H₃₁NO₄
• 分子量: 469.58
• InChiKey: WNBIWJCXNHORGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  35
• 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：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 3-羟基-5,5-二甲基环己-2-烯-1-酮 以 乙醇 为溶剂， 反应 10.0h， 以40%的产率得到4-(10,10-dimethyl-8-oxo-7,8,9,10,11,12-hexahydrobenzo[c]acridin-7-yl)-2-methoxyphenyl isobutyrate
  参考文献：
  名称：

  Synthesis and spectral characteristics of 4-(10,10-dimethyl-8-oxo-7,8,9,10,11,12-hexahydrobenzo[c]acridin-7-yl)-2-methoxy(ethoxy)phenyl carboxylates

  摘要：

  By reaction of vanillin and ethyl vanillin with 1-naphthylamine in ethanol previously unknown azomethines (Schiff's bases) were obtained as individual E-isomers which in heterocyclizatoion with dimedone provided in 33-77% yield individual 4-(10,10-dimethyl -8-oxo-7,8,9,10,11,12-hexahydrobenzo[c]acridin-7-yl)2-methoxy(ethoxy)phenyl carboxylates formed as a result of recombination of the adduct of azomethine and dimedone occurring by the type of Hofmann-Martius rearrangement. The structure of compounds obtained was confirmed by elemental analyses, UV, IR, and H-1 NMR spectra.

  DOI：

  10.1134/s1070428007100120

文献信息

• Synthesis and spectral characteristics of 4-(10,10-dimethyl-8-oxo-7,8,9,10,11,12-hexahydrobenzo[c]acridin-7-yl)-2-methoxy(ethoxy)phenyl carboxylates
  作者：V. V. Skatetskii、N. G. Kozlov、E. A. Dikusar

  DOI：10.1134/s1070428007100120

  日期：2007.10

  By reaction of vanillin and ethyl vanillin with 1-naphthylamine in ethanol previously unknown azomethines (Schiff's bases) were obtained as individual E-isomers which in heterocyclizatoion with dimedone provided in 33-77% yield individual 4-(10,10-dimethyl -8-oxo-7,8,9,10,11,12-hexahydrobenzo[c]acridin-7-yl)2-methoxy(ethoxy)phenyl carboxylates formed as a result of recombination of the adduct of azomethine and dimedone occurring by the type of Hofmann-Martius rearrangement. The structure of compounds obtained was confirmed by elemental analyses, UV, IR, and H-1 NMR spectra.