2-[4-(2-甲氧基苯基)哌嗪-1-基]嘧啶 | 3601-88-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 2-[4-(2-甲氧基苯基)哌嗪-1-基]嘧啶
• 英文名称: 2-(4-(2-methoxyphenyl)piperazin-1-yl)pyrimidine
• 英文别名: 1-(2-Pyrimidyl)-4-(2-methoxy-phenyl)-piperazin；Pyrimidine, 2-(4-(o-methoxyphenyl)-1-piperazinyl)-；2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
• CAS: 3601-88-5
• 化学式: C₁₅H₁₈N₄O
• 分子量: 270.334
• InChiKey: IKTDMPJHXRYBNC-UHFFFAOYSA-N

物化性质

• 熔点：
  73 °C
• 沸点：
  466.2±55.0 °C(Predicted)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  41.5
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  2-氯嘧啶 、 1-(2-甲氧苯基)哌嗪 反应 12.0h， 以76%的产率得到2-[4-(2-甲氧基苯基)哌嗪-1-基]嘧啶
  参考文献：
  名称：

  HFIP Promoted Low-Temperature S_NAr of Chloroheteroarenes Using Thiols and Amines

  摘要：

  A highly efficient and an unprecedented hexafluoro-2-propanol, promoting low-temperature aromatic nucleophilic substitutions of chloroheteroarenes, has been performed using thiols and (secondary) amines under base free and metal-free conditions. The developed protocol also provides excellent regio-control for the selective functionalization of dichloroheteroarenes, while the utility of the protocol was demonstrated by the modification of a commercially available drug ceritinib.

  DOI：

  10.1021/acs.joc.9b02371

文献信息

• HFIP Promoted Low-Temperature S_NAr of Chloroheteroarenes Using Thiols and Amines
  作者：Yuvraj B. Bhujabal、Kamlesh S. Vadagaonkar、Aniket Gholap、Yogesh S. Sanghvi、Rambabu Dandela、Anant R. Kapdi

  DOI：10.1021/acs.joc.9b02371

  日期：2019.12.6

  A highly efficient and an unprecedented hexafluoro-2-propanol, promoting low-temperature aromatic nucleophilic substitutions of chloroheteroarenes, has been performed using thiols and (secondary) amines under base free and metal-free conditions. The developed protocol also provides excellent regio-control for the selective functionalization of dichloroheteroarenes, while the utility of the protocol was demonstrated by the modification of a commercially available drug ceritinib.