ethyl-2-{9-(4-nitrophenyl)-3,5-dioxo-4,9-diazatetracyclo[5.3.1.02-exo,6-exo.08-exo,12-exo]undec-4-yl}ethanoate | 1160211-92-6

• 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: ethyl-2-{9-(4-nitrophenyl)-3,5-dioxo-4,9-diazatetracyclo[5.3.1.02-exo,6-exo.08-exo,12-exo]undec-4-yl}ethanoate
• 英文别名: ethyl-2-{9-(4-nitrophenyl)-3,5-dioxo-4,9-diazatetracyclo[5.3.1.0^2-exo,6-exo.0^8-exo,12-exo]undec-4-yl}ethanoate
• CAS: 1160211-92-6
• 化学式: C₁₉H₁₉N₃O₆
• 分子量: 385.376
• InChiKey: QFIQDUYSXHCXIE-HQMUFGDTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.97
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  109.83
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  4-nitrophenyl azide 、 N-Ethoxycarbonylmethyl-cis-endo-bicyclo<2.2.1>hept-5-en-2,3-dicarboximid 、 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetic acid 以 氯仿 为溶剂， 以71%的产率得到ethyl-2-{9-(4-nitrophenyl)-3,5-dioxo-4,9-diazatetracyclo[5.3.1.02-exo,6-exo.08-exo,12-exo]undec-4-yl}ethanoate
  参考文献：
  名称：

  Features of reactions between (3,5-dioxo-4-azatricyclo-[5.2.1.02-endo,6-endo ]dec-8-en-4-yl)carboxylic acids and p-nitrophenyl azide

  摘要：

  Reactions were performed of (3,5-dioxo-4-azatricyclo[5.2.1.0(2-endo,6-endo) ]dec-8-en-4-yl)carboxylic acids and their derivatives with p-nitrophenyl azide. A significant fact of the involvement of the carboxy group into the formation of aziridine ring was established and the intermolecular character of this process was confirmed. The structure of compounds synthesized was proved by IR and H-1 NMR spectra.

  DOI：

  10.1134/s1070428009020146