N-(5-methyl-2-phenylpyrazol-3-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine | 956755-16-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(5-methyl-2-phenylpyrazol-3-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
• CAS: 956755-16-1
• 化学式: C₂₀H₂₃N₅O₂S
• 分子量: 397.501
• InChiKey: WYNZNTSLKXDZSR-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：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  88.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(5-methyl-2-phenylpyrazol-3-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine 、 靛红 在 三甲基氯硅烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以84%的产率得到
  参考文献：
  名称：

  High Throughput Synthesis of Extended Pyrazolo[3,4-d]dihydropyrimidines

  摘要：

  Thirteen 5-hetarylaminopyrazoles were synthesized in 62-93% yield through the arylation of 1-isopropyl- and 1-phenyl-5-aminopyrazoles with electrophilic hetarylhalides under optimized conditions. Condensation of 5-hetarylaminopyrazoles with carbonyl compounds facilitated by AcOH or Me3SiCl furnished 23 pyrazolo[3,4-d]dihydropyrimidines in 69-86% yield. The target compounds were isolated through simple crystallization. The scope and limitation of the method are discussed.

  DOI：

  10.1021/co300063x
• 作为产物：
  描述：

  5-氨基-3-甲基-1-苯基吡唑 、 2-氯-5-(哌啶-1-磺酰基)-吡啶 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 12.67h， 以83%的产率得到N-(5-methyl-2-phenylpyrazol-3-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
  参考文献：
  名称：

  High Throughput Synthesis of Extended Pyrazolo[3,4-d]dihydropyrimidines

  摘要：

  Thirteen 5-hetarylaminopyrazoles were synthesized in 62-93% yield through the arylation of 1-isopropyl- and 1-phenyl-5-aminopyrazoles with electrophilic hetarylhalides under optimized conditions. Condensation of 5-hetarylaminopyrazoles with carbonyl compounds facilitated by AcOH or Me3SiCl furnished 23 pyrazolo[3,4-d]dihydropyrimidines in 69-86% yield. The target compounds were isolated through simple crystallization. The scope and limitation of the method are discussed.

  DOI：

  10.1021/co300063x