2-methyl-1-[3-[4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one | 1160001-01-3

• 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: 2-methyl-1-[3-[4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
• CAS: 1160001-01-3
• 化学式: C₁₉H₂₈N₆O
• 分子量: 356.471
• InChiKey: LCSWVMAULRKNMF-UHFFFAOYSA-N

物化性质

• 沸点：
  606.0±65.0 °C(predicted)
• 密度：
  1.178±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  86.8
• 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 、 异丁酸 在 SiliaBond-carbodiimide 作用下， 以 二氯甲烷 为溶剂， 反应 0.08h， 以98%的产率得到2-methyl-1-[3-[4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
  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.