4-[5-(1-benzylpiperidin-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine | 1160000-99-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-[5-(1-benzylpiperidin-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
• CAS: 1160000-99-6
• 化学式: C₂₂H₂₈N₆
• 分子量: 376.505
• InChiKey: YISDUIZIBKODAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  69.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-isopropyl-4-(3-(piperidin-3-yl)-1H-pyrazol-4-yl)pyrimidin-2-amine 、 苯甲醛 在 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 以97%的产率得到4-[5-(1-benzylpiperidin-3-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
  参考文献：
  名称：

  Chemically enabled synthesis of 2-amino-4-heteroarylpyrimidines

  摘要：

  2-Amino-4-heteroarylpyrimidines were initially synthesized by microwave-induced SNAr reactions of primary alkyl amines and 2-methylsulfonylpyrimidines or 2-chloropyrimidines. Following this methodology, pendant piperidine functionality was elaborated utilizing silica-bound reagents in microwave-assisted reductive amination and amide bond formation protocols. These methods proved to be versatile, efficient, and amenable to parallel synthesis. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.073

文献信息

• Chemically enabled synthesis of 2-amino-4-heteroarylpyrimidines
  作者：Paul S. Humphries、Quyen-Quyen T. Do、David M. Wilhite

  DOI：10.1016/j.tetlet.2009.03.073

  日期：2009.5

  2-Amino-4-heteroarylpyrimidines were initially synthesized by microwave-induced SNAr reactions of primary alkyl amines and 2-methylsulfonylpyrimidines or 2-chloropyrimidines. Following this methodology, pendant piperidine functionality was elaborated utilizing silica-bound reagents in microwave-assisted reductive amination and amide bond formation protocols. These methods proved to be versatile, efficient, and amenable to parallel synthesis. (C) 2009 Elsevier Ltd. All rights reserved.