12-(3-nitrophenyl)-7,8,9,10,11,12-hexahydrobenzo[f]pyrimido[4,5-b]quinoline-9,11-dione

• 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: 12-(3-nitrophenyl)-7,8,9,10,11,12-hexahydrobenzo[f]pyrimido[4,5-b]quinoline-9,11-dione
• 英文别名: 12-(3-nitrophenyl)-8,12-dihydro-7H-benzo[f]pyrimido[4,5-b]quinoline-9,11-dione；18-(3-nitrophenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene-14,16-diol
• 化学式: C₂₁H₁₄N₄O₄
• 分子量: 386.367
• InChiKey: OBGZEFXOPUQWRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  116
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  间硝基苯甲醛 以 乙醇 、 正丁醇 为溶剂， 生成 12-(3-nitrophenyl)-7,8,9,10,11,12-hexahydrobenzo[f]pyrimido[4,5-b]quinoline-9,11-dione
  参考文献：
  名称：

  Reaction of hexahydropyirimidine-2,4,6-trione with naphthalen-2-amine and benzaldehydes

  摘要：

  Previously unknown 12-aryl-7,8,9,10,11,12-hexahydrobenzoV]pyrimido[4.5-blquinoline-9,11-diones were synthesized by three-component condensation of naphthalen-2-amine with substituted benzaldehydes and barbituric acid through intermediate 5-benzylidenebarbituric acids.

  DOI：

  10.1134/s1070428007030190

文献信息

• Green Method for the Synthesis of Benzo[<i>f</i>]pyrimido[4,5-<i>b</i>]quinoline Derivatives Catalyzed by Iodine in Aqueous Media
  作者：Xiang-Shan Wang、Qing Li、Jian-Rong Wu、Mei-Mei Zhang

  DOI：10.1080/00397910902730929

  日期：2009.7.29

  Abstract A convenient one-pot synthesis of benzo[f]pyrimido[4,5-b]quinoline derivatives is described via three-component reaction of benzaldehydes, naphthalen-2-amine, and barbituric acid at room temperature in aqueous media catalyzed by iodine. Compared with other methods, this three-component reaction used a green solvent, gave good yields, and was operationally simple.

  摘要 通过苯甲醛、萘-2-胺和巴比妥酸在室温下在碘催化的水介质中的三组分反应，描述了一种方便的苯并[f]嘧啶并[4,5-b]喹啉衍生物的一锅法合成。 . 与其他方法相比，该三组分反应使用绿色溶剂，收率好，操作简单。
• Reaction of hexahydropyirimidine-2,4,6-trione with naphthalen-2-amine and benzaldehydes
  作者：N. G. Kozlov、L. I. Basalaeva

  DOI：10.1134/s1070428007030190

  日期：2007.3

  Previously unknown 12-aryl-7,8,9,10,11,12-hexahydrobenzoV]pyrimido[4.5-blquinoline-9,11-diones were synthesized by three-component condensation of naphthalen-2-amine with substituted benzaldehydes and barbituric acid through intermediate 5-benzylidenebarbituric acids.