1-(4-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine | 393845-22-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
• 英文别名: 1-(4-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidine
• CAS: 393845-22-2
• 化学式: C₁₈H₂₁N₅O
• 分子量: 323.398
• InChiKey: SSUFUHJHQMDHCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  56.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-甲基哌啶 、 4-氯-1-(4-甲氧基苯基)-1H-吡唑并[3,4-d]嘧啶 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 1-(4-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  Microwave-assisted protocols for the expedited synthesis of pyrazolo[1,5-a] and [3,4-d]pyrimidines

  摘要：

  General, high-yielding MAOS protocols for the expedited synthesis of functionalized pyrazolo[1,5-a]pyrimidines and pyrazolo[3,4-b]pyrimidines, as well as their pyrazole precursors, are described amenable to an iterative analogue library synthesis strategy for lead optimization. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.054

文献信息

• Microwave-assisted protocols for the expedited synthesis of pyrazolo[1,5-a] and [3,4-d]pyrimidines
  作者：R. Nathan Daniels、Kwangho Kim、Evan P. Lebois、Hubert Muchalski、Mary Hughes、Craig W. Lindsley

  DOI：10.1016/j.tetlet.2007.11.054

  日期：2008.1

  General, high-yielding MAOS protocols for the expedited synthesis of functionalized pyrazolo[1,5-a]pyrimidines and pyrazolo[3,4-b]pyrimidines, as well as their pyrazole precursors, are described amenable to an iterative analogue library synthesis strategy for lead optimization. (c) 2007 Elsevier Ltd. All rights reserved.