2-amino-4-(4-methoxyphenyl)-6-(methylthio)pyrimidine | 54807-01-1

• 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-amino-4-(4-methoxyphenyl)-6-(methylthio)pyrimidine
• 英文别名: 4-(4-methoxy-phenyl)-6-methylsulfanyl-pyrimidin-2-ylamine；4-(4-Methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine
• CAS: 54807-01-1
• 化学式: C₁₂H₁₃N₃OS
• 分子量: 247.321
• InChiKey: PBYNYVCKYWKRCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  86.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  碳酸胍 、 1-(4-甲氧基苯基)-3,3-二(甲硫基)-2-丙烯-1-酮 以 neat (no solvent) 为溶剂， 反应 0.33h， 以96%的产率得到2-amino-4-(4-methoxyphenyl)-6-(methylthio)pyrimidine
  参考文献：
  名称：

  Microwave-Assisted Solvent-Free Synthesis of Highly Functionalized Pyrimidine Derivatives

  摘要：

  We here described an efficient method for the synthesis of a series of highly functionalized pyrimidines via the addition and condensation reaction of ketene dithioacetals with guanidine carbonate or amidine hydrochlorides by microwave irradiation under solvent‐free conditions in the absence of a catalyst, giving the products with good yields (79–98%).

  DOI：

  10.1002/jhet.891

文献信息

• Microwave-Assisted Solvent-Free Synthesis of Highly Functionalized Pyrimidine Derivatives
  作者：Shengjiao Yan、Yanfei Niu、Xuebing Chen、Yongjiang Liu、Jun Lin

  DOI：10.1002/jhet.891

  日期：2012.7

  We here described an efficient method for the synthesis of a series of highly functionalized pyrimidines via the addition and condensation reaction of ketene dithioacetals with guanidine carbonate or amidine hydrochlorides by microwave irradiation under solvent‐free conditions in the absence of a catalyst, giving the products with good yields (79–98%).