2-chloro-4-[1-methyl-3-(4-nitro-phenyl)-1H-pyrazol-4-yl]-pyrimidine | 927653-47-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-chloro-4-[1-methyl-3-(4-nitro-phenyl)-1H-pyrazol-4-yl]-pyrimidine
• 英文别名: 2-Chloro-4-[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]pyrimidine；2-chloro-4-[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]pyrimidine
• CAS: 927653-47-2
• 化学式: C₁₄H₁₀ClN₅O₂
• 分子量: 315.719
• InChiKey: PPXQARABBSOKOO-UHFFFAOYSA-N

物化性质

• 沸点：
  516.9±45.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  89.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-chloro-4-[1-methyl-3-(4-nitro-phenyl)-1H-pyrazol-4-yl]-pyrimidine 、 3-(4-甲基哌嗪-1-基)苯胺 在 盐酸 作用下， 以 异丙醇 为溶剂， 以99%的产率得到4-[1-methyl-3-(4-nitro-phenyl)-1H-pyrazol-4-yl]-N-[3-(4-methyl-piperazin-1-yl)phenyl]-pyrimidin-2-amine
  参考文献：
  名称：

  Two convenient regioselective syntheses of 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles

  摘要：

  Two regioselective synthetic routes for 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles of generic formula 1 were developed. These highly efficient and scalable routes circumvent the generally observed poor regioselectivity for the pyrazole alkylation. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2008.12.113
• 作为产物：
  描述：

  2,4-二氯嘧啶 、 1-methyl-3-(4-nitro-phenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 作用下， 以 乙醇 、 水 为溶剂， 以75%的产率得到2-chloro-4-[1-methyl-3-(4-nitro-phenyl)-1H-pyrazol-4-yl]-pyrimidine
  参考文献：
  名称：

  Two convenient regioselective syntheses of 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles

  摘要：

  Two regioselective synthetic routes for 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles of generic formula 1 were developed. These highly efficient and scalable routes circumvent the generally observed poor regioselectivity for the pyrazole alkylation. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2008.12.113

文献信息

• Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases
  申请人：Adams Jerry Leroy

  公开号：US20080242667A1

  公开（公告）日：2008-10-02

  The present invention provides a compound represented by Formula (I): or a salt thereof, or a solvate thereof, or a combination thereof, wherein the substituents are as defined herein. The present invention also relates to a composition comprising the compound of formula (I) and diluents, carriers, or excipients. Furthermore, the present invention relates to a method of treating a disease of cell proliferation comprising administering to a patient in need thereof a pharmaceutically effective amount of the compound of formula (I) or a salt thereof, or a solvate thereof, or a combination thereof.

  本发明提供了由式（I）表示的化合物： 或其盐，溶剂合物或其组合物，其中取代基如此处所定义。 本发明还涉及包含式（I）化合物和稀释剂、载体或赋形剂的组合物。此外，本发明还涉及一种治疗细胞增殖疾病的方法，包括向需要治疗的患者输注式（I）化合物或其盐，溶剂合物或其组合物的药学有效量。
• WO2007/24843
  申请人：——

  公开号：——

  公开（公告）日：——
• Two convenient regioselective syntheses of 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles
  作者：Jeffrey M. Ralph、Thomas H. Faitg、Domingos J. Silva、Yanhong Feng、Charles W. Blackledge、Jerry L. Adams

  DOI：10.1016/j.tetlet.2008.12.113

  日期：2009.4

  Two regioselective synthetic routes for 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles of generic formula 1 were developed. These highly efficient and scalable routes circumvent the generally observed poor regioselectivity for the pyrazole alkylation. Published by Elsevier Ltd.