2,4-diamino-6-(3,4-dichlorophenyl)pyrimidine-5-carbonitrile | 1219081-77-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,4-diamino-6-(3,4-dichlorophenyl)pyrimidine-5-carbonitrile
• CAS: 1219081-77-2
• 化学式: C₁₁H₇Cl₂N₅
• 分子量: 280.116
• InChiKey: CKNRAOSQYUODDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  碳酸胍 、 3,4-二氯苯甲醛 、 丙二腈 在 sodium hydroxide 作用下， 以91%的产率得到2,4-diamino-6-(3,4-dichlorophenyl)pyrimidine-5-carbonitrile
  参考文献：
  名称：

  Efficient and Facile Synthesis of 2,4-Diamino-6-arylpyrimidine-5-carbonitrile Under Solvent-Free Conditions

  摘要：

  An efficient and convenient method for the preparation of 2,4-diamino-6-arylpyrimidine-5-carbonitrile derivatives by the one-pot reaction of aromatic aldehydes, malononitrile, and guanidine carbonate, in the presence of sodium hydroxide under solvent-free conditions, was reported. This method has the advantages of excellent yields, mild reaction conditions, easy work up, and environmental friendliness over the existing procedures.

  DOI：

  10.1080/00397910902987784

文献信息

• Efficient and Facile Synthesis of 2,4-Diamino-6-arylpyrimidine-5-carbonitrile Under Solvent-Free Conditions
  作者：Liangce Rong、Hongxia Han、Lijiu Gao、Yisi Dai、Minxia Cao、Shujiang Tu

  DOI：10.1080/00397910902987784

  日期：2010.2.2

  An efficient and convenient method for the preparation of 2,4-diamino-6-arylpyrimidine-5-carbonitrile derivatives by the one-pot reaction of aromatic aldehydes, malononitrile, and guanidine carbonate, in the presence of sodium hydroxide under solvent-free conditions, was reported. This method has the advantages of excellent yields, mild reaction conditions, easy work up, and environmental friendliness over the existing procedures.