2-amino-6-(4-(dimethylamino)phenyl)-5,6-dihydropyrimidin-4(3H)-one | 912758-68-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-amino-6-(4-(dimethylamino)phenyl)-5,6-dihydropyrimidin-4(3H)-one
• 英文别名: 2-Amino-6-[4-(dimethylamino)phenyl]-3,4,5,6-tetrahydropyrimidin-4-one；2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one
• CAS: 912758-68-0
• 化学式: C₁₂H₁₆N₄O
• 分子量: 232.285
• InChiKey: NPWXPHBVSGSTBB-UHFFFAOYSA-N

物化性质

• 熔点：
  261-262 °C
• 沸点：
  419.4±55.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 碳酸胍 、 对二甲氨基苯甲醛 在 amino-functionalized MCM-41 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以62%的产率得到2-amino-6-(4-(dimethylamino)phenyl)-5,6-dihydropyrimidin-4(3H)-one
  参考文献：
  名称：

  Amino-Functionalized MCM-41 base-Catalyzed one-Pot synthesis of 2-Amino-5,6-dihydropyrimidin-4(3H)-ones

  摘要：

  A simple and efficient one-pot method for the preparation of 2-amino-5,6-dihydropyrimidin-4(3H)-one from the cyclocondensation of Meldrum's acid, aldehydes and guanidinium carbonate using a catalytic amount of amino-functionalized MCM-41 is described. This efficient technique has the advantage of giving 2-NH2-DHPM building blocks using a base catalyst in good to high yields, being completed in short reaction times and offering a simple product isolation procedure.

  DOI：

  10.1007/bf03246225

文献信息

• Amino-Functionalized MCM-41 base-Catalyzed one-Pot synthesis of 2-Amino-5,6-dihydropyrimidin-4(3H)-ones
  作者：M. Mirza-Aghayan、T. Baie Lashaki、M. Rahimifard、R. Boukherroub、A. A. Tarlani

  DOI：10.1007/bf03246225

  日期：2011.3

  A simple and efficient one-pot method for the preparation of 2-amino-5,6-dihydropyrimidin-4(3H)-one from the cyclocondensation of Meldrum's acid, aldehydes and guanidinium carbonate using a catalytic amount of amino-functionalized MCM-41 is described. This efficient technique has the advantage of giving 2-NH2-DHPM building blocks using a base catalyst in good to high yields, being completed in short reaction times and offering a simple product isolation procedure.