3-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine | 1415505-49-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
• CAS: 1415505-49-5
• 化学式: C₁₈H₁₅N₅S
• 分子量: 333.417
• InChiKey: UBLKTRGKWHNOMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  80.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-氨基-3-(甲基硫代)-1-苯基-1H-吡唑-4-羧酸乙酯 在 三氯氧磷 作用下， 以 异丙醇 为溶剂， 反应 0.67h， 生成 3-methylsulfanyl-N,1-diphenylpyrazolo[3,4-d]pyrimidin-4-amine
  参考文献：
  名称：

  Novel Dual Use of Formamide-POCl₃ Mixture for the Efficient, One-Pot Synthesis of Condensed 2H-Pyrimidin-4-amine Libraries Under Microwave Irradiation

  摘要：

  The novel dual use of formamide-POCl3 mixture for the incorporation of a C-N fragment to form the pyrimidine nucleus and its subsequent chlorination in an efficient, one-pot synthesis of potentially bioactive condensed 2H-pyrimidin-4-amine libraries under microwave irradiation (MWI) is reported. The one-pot microwave-assisted synthetic protocol is high-yielding, ecofriendly, rapid, and novel as well as eliminates intermittent work-ups. The protocol can be adapted for the library synthesis of series of a condensed pyrimidines.

  DOI：

  10.1080/00397911.2011.607934

文献信息

• Novel Dual Use of Formamide-POCl₃ Mixture for the Efficient, One-Pot Synthesis of Condensed 2<i>H</i>-Pyrimidin-4-amine Libraries Under Microwave Irradiation
  作者：Kishore S. Jain、Muthu K. Kathiravan、Jitender B. Bariwal、Pratip K. Chaskar、Santosh S. Tompe、Nikhilesh Arya

  DOI：10.1080/00397911.2011.607934

  日期：2013.1.1

  The novel dual use of formamide-POCl3 mixture for the incorporation of a C-N fragment to form the pyrimidine nucleus and its subsequent chlorination in an efficient, one-pot synthesis of potentially bioactive condensed 2H-pyrimidin-4-amine libraries under microwave irradiation (MWI) is reported. The one-pot microwave-assisted synthetic protocol is high-yielding, ecofriendly, rapid, and novel as well as eliminates intermittent work-ups. The protocol can be adapted for the library synthesis of series of a condensed pyrimidines.