6-(4-bromophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-pyridinamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-(4-bromophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-pyridinamine
• 英文别名: 6-(4-Bromophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-2-amine
• 化学式: C₂₂H₂₃BrN₄O
• 分子量: 439.355
• InChiKey: HRIZASYPSQOAIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-(4-bromophenyl)-4-methylsulfanyl-2H-pyran-2-one-3-carbonitrile 在 吡啶 、 ammonium carbonate 作用下， 生成 6-(4-bromophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-pyridinamine
  参考文献：
  名称：

  Synthesis of Aminonicotinonitriles and Diaminopyridines through Base-Catalyzed Ring Transformation of 2H-Pyran-2-ones

  摘要：

  An efficient and convenient synthesis of 2-amino-6-aryl-4-methylsulfanylnicotinonitriles (2), 2-amino-6-aryl-4-substituted-aminonicotinonitriles (4), and 2-amino-6-aryl-4-substituted-aminopyridines (6) has been delineated and illustrated through base-catalyzed ring transformation of 6-aryl-3-cyano-4-methylsulfanyl/substituted-amino-2H-pyran-2-ones (1, 3, and 5) with cyanamide and ammonium carbonate separately.

  DOI：

  10.1021/jo0204496

文献信息

• Synthesis of Aminonicotinonitriles and Diaminopyridines through Base-Catalyzed Ring Transformation of 2<i>H</i>-Pyran-2-ones
  作者：Farhanullah、Nidhi Agarwal、Atul Goel、Vishnu Ji Ram

  DOI：10.1021/jo0204496

  日期：2003.4.1

  An efficient and convenient synthesis of 2-amino-6-aryl-4-methylsulfanylnicotinonitriles (2), 2-amino-6-aryl-4-substituted-aminonicotinonitriles (4), and 2-amino-6-aryl-4-substituted-aminopyridines (6) has been delineated and illustrated through base-catalyzed ring transformation of 6-aryl-3-cyano-4-methylsulfanyl/substituted-amino-2H-pyran-2-ones (1, 3, and 5) with cyanamide and ammonium carbonate separately.