3-Formamido-4-phenyl-pyrazol | 62538-14-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Formamido-4-phenyl-pyrazol
• 英文别名: 3-N-Formylamid-4-phenylpyrazol；N-(4-phenyl-1(2)H-pyrazol-3-yl)-formamide；N-(4-phenyl-1H-pyrazol-5-yl)formamide
• CAS: 62538-14-1
• 化学式: C₁₀H₉N₃O
• 分子量: 187.201
• InChiKey: ZIWWYRYDVFKQJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Formamido-4-phenyl-pyrazol 在 dimethyl sulfide borane 作用下， 生成 3-methylamino-4-phenylpyrazole
  参考文献：
  名称：

  Synthesis and BZR affinity of pyrazolo[1,5-a]pyrimidine derivatives. part 1: study of the structural features for BZR recognition

  摘要：

  Examination of the pharmacophoric points of the pyrazolo[1,5-a]pyrimidine derivatives, ligands for BZR, previously published led us to the design of a novel class of 3,6-diaryl-4,7-dihydro-pyrazolo[1,5-a]pyrimidin-7-ones and to determine the groups involved in the BZR recognition. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00232-1

文献信息

• N-Formylanilido aromatic compounds, process for their preparation and process for the preparation of the corresponding N-phenyl aromatic amino compounds
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0003259A1

  公开（公告）日：1979-08-08

  N-Formylanilido aromatic compounds containing at least two electron-withdrawing substituents in the benzene ring are obtained by reacting together equimolecular quantities of a formanilide and an aromatic halogen compound in the presence of a diluent and an acid-binding agent at a reaction temperature below that which causes decarbonylation. The corresponding anilido aromatic compounds are obtained by conducting the process at a reaction temperature above the temperature of decarbonylation or by heating the N-formylanilido aromatic compounds above their temperature of decarbonylation.

  在稀释剂和酸结合剂的存在下，等分子量的甲酰苯胺和芳香族卤素化合物在低于脱羰基化温度的反应温度下发生反应，可得到苯环上至少含有两个抽电子取代基的 N-甲酰苯胺基芳香族化合物。 在高于脱羰基化温度的反应温度下进行该过程，或将 N-甲酰苯胺基芳香族化合物加热至高于其脱羰基化温度，可得到相应的苯胺基芳香族化合物。