2,4-diamino-6-(methylthio)-5-phenylpyrimidine | 900451-59-4

• 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-(methylthio)-5-phenylpyrimidine
• 英文别名: 6-Methylsulfanyl-5-phenylpyrimidine-2,4-diamine
• CAS: 900451-59-4
• 化学式: C₁₁H₁₂N₄S
• 分子量: 232.309
• InChiKey: DHYIVTPTMPMJAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ββ-bis(methylmercapto)-α-phenylacrylonitrile 、 碳酸胍 以 neat (no solvent) 为溶剂， 反应 0.33h， 以86%的产率得到2,4-diamino-6-(methylthio)-5-phenylpyrimidine
  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%).