Ethyl 4-(4-bromoanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate | 691375-29-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: Ethyl 4-(4-bromoanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
• CAS: 691375-29-8
• 化学式: C₁₆H₁₄BrN₃O₂S
• 分子量: 392.276
• InChiKey: HMJVJGVTWXNGGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氨-4-甲基噻吩-3,5-二羧酸二乙酯 在 三氯氧磷 作用下， 以 异丙醇 为溶剂， 反应 0.75h， 生成 Ethyl 4-(4-bromoanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
  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