8,8-dimethyl-5-p-tolyl-7,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,5H)-trione | 685519-86-2

• 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: 8,8-dimethyl-5-p-tolyl-7,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,5H)-trione
• 英文别名: 8,8-dimethyl-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione；8,8-dimethyl-5-(4-methylphenyl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
• CAS: 685519-86-2
• 化学式: C₂₀H₂₁N₃O₃
• 分子量: 351.405
• InChiKey: DZWNFOJNTBKDDO-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 密度：
  1.33±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  87.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  巴比妥酸 、 对甲基苯甲醛 、 3-氨基-5,5-二甲基-2-环己烯-1-酮 在 哌啶 作用下， 以 水 为溶剂， 反应 1.0h， 以81%的产率得到8,8-dimethyl-5-p-tolyl-7,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,5H)-trione
  参考文献：
  名称：

  Rapid and efficient synthesis of fused heterocyclic pyrimidines under ultrasonic irradiation

  摘要：

  Some fused heterocyclic pyrimidines have been synthesized in high yields using ultrasound irradiation in a one-pot, three-component and efficient process by condensation reaction of barbituric acids, aldehydes and a series of enamines in water. Prominent among the advantages of this new method are operational simplicity, good yields in short reaction times and easy work-up procedures employed. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ultsonch.2009.07.002

文献信息

• A green synthesis of pyrimido[4,5-<i>b</i>]quinolines and pyrido[2,3-<i>d</i>]pyrimidines <i>via</i> a mechanochemical approach
  作者：Himanshu Kumar Singh、Arsala Kamal、Suresh Kumar Maury、Ambuj Kumar Kushwaha、Vandana Srivastava、Sundaram Singh

  DOI：10.1039/d3ob00626c

  日期：——

  for the synthesis of pyrimido[4,5-b]quinolines and pyrido[2,3-d]pyrimidines via a multicomponent reaction of 1,3 diketones (dimedone, barbituric acid, and Meldrum's acid), 6-aminouracil and aromatic aldehyde, through mechanochemical synthesis using a ball-mill. This transformation involves a one pot, catalyst-free, and solvent-free pathway to develop the desired products under mild reaction conditions

  通过1,3二酮（二甲酮、巴比妥酸和Meldrum 's酸），6-氨基尿嘧啶和芳香醛，通过使用球磨机的机械化学合成。这种转化涉及一种单锅、无催化剂和无溶剂的途径，可以在温和的反应条件下开发所需的产品。
• Rapid and efficient synthesis of fused heterocyclic pyrimidines under ultrasonic irradiation
  作者：Mohammad Hossein Mosslemin、Mohammad Reza Nateghi

  DOI：10.1016/j.ultsonch.2009.07.002

  日期：2010.1

  Some fused heterocyclic pyrimidines have been synthesized in high yields using ultrasound irradiation in a one-pot, three-component and efficient process by condensation reaction of barbituric acids, aldehydes and a series of enamines in water. Prominent among the advantages of this new method are operational simplicity, good yields in short reaction times and easy work-up procedures employed. (C) 2009 Elsevier B.V. All rights reserved.