1-phenyl-3--5-pyrazolone | 137201-91-3

• 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-phenyl-3--5-pyrazolone
• CAS: 137201-91-3
• 化学式: C₁₉H₁₇ClN₄O₃
• 分子量: 384.822
• InChiKey: LWHDXGNXFHCRKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  83.36
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-phenyl-3--5-pyrazolone 在 盐酸 作用下， 以 乙醇 为溶剂， 以60%的产率得到3,6-bis-(1-phenylpyrazoline-5-one-3-yl)-piperazine-2,5-dione
  参考文献：
  名称：

  The electroreduction of pyrazolone glyoxalic ester derivatives in aqueous buffered media

  摘要：

  The polarographic reduction of two series of pyrazolone derivatives in alcoholic buffered media indicated that these molecules predominate in the hydrazone form and are reduced via a 4e- irreversible process. The main electrolysis products, 3,6-bis(pyrazoline-5-on-3yl)piperazine-2,5-dione (3), and 3,6-bis(1-phenyl-pyrazoline-5-on-3yl)piperazine-2,5-dione (4) were isolated and identified. A mechanism has been suggested and discussed.

  DOI：

  10.1007/bf00809248
• 作为产物：
  描述：

  diethyl 2-[(4-chlorophenyl)hydrazinylidene]-3-oxopentanedioate 、 苯肼 以 溶剂黄146 为溶剂， 以85%的产率得到1-phenyl-3--5-pyrazolone
  参考文献：
  名称：

  The electroreduction of pyrazolone glyoxalic ester derivatives in aqueous buffered media

  摘要：

  The polarographic reduction of two series of pyrazolone derivatives in alcoholic buffered media indicated that these molecules predominate in the hydrazone form and are reduced via a 4e- irreversible process. The main electrolysis products, 3,6-bis(pyrazoline-5-on-3yl)piperazine-2,5-dione (3), and 3,6-bis(1-phenyl-pyrazoline-5-on-3yl)piperazine-2,5-dione (4) were isolated and identified. A mechanism has been suggested and discussed.

  DOI：

  10.1007/bf00809248