1-methyl-3-phenyl-5-p-methoxyphenylpyrazoline | 86389-37-9

• 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-methyl-3-phenyl-5-p-methoxyphenylpyrazoline
• 英文别名: 1H-Pyrazole, 4,5-dihydro-5-(4-methoxyphenyl)-1-methyl-3-phenyl-；3-(4-methoxyphenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
• CAS: 86389-37-9
• 化学式: C₁₇H₁₈N₂O
• 分子量: 266.343
• InChiKey: RPJQSEGRIZWYFV-UHFFFAOYSA-N

物化性质

• 熔点：
  87 °C(Solv: hexane (110-54-3))
• 沸点：
  407.5±55.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  24.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-3-phenyl-5-p-methoxyphenylpyrazoline 在 氧气 作用下， 以 溶剂黄146 为溶剂， 反应 6.0h， 生成 5-(4-methoxyphenyl)-1-methyl-3-phenyl-1H-pyrazole
  参考文献：
  名称：

  Heterocycles: 2—Regiospecific addition of methylhydrazine to acetylenic ketones

  摘要：

  AbstractThe reaction of 1‐p‐methoxyphenyl‐3‐phenyl‐2‐propen‐1‐one and 3‐p‐methoxyphenyl‐1‐phenyl‐2‐propen‐1‐one with methylhydrazine gave 1‐methyl‐3‐p‐methoxyphenyl‐5‐phenylpyrazoline and 1‐methyl‐3‐phenyl‐5‐p‐methoxyphenylpyrazoline, respectively. These compounds, on oxidation, gave 1‐methyl‐3‐p‐methoxyphenyl‐5‐phenylpyrazole(2) and 1‐methyl‐3‐phenyl‐5‐p‐methoxyphenylpyrazole, respectively. When methyl‐hydrazine was made to react with 1‐p‐methoxyphenyl‐3‐phenyl‐2‐propyn‐1‐one, a pyrazole was obtained which proved to be identical with 2. Confirmatory evidence for this identity was obtained from their spectral data.

  DOI：

  10.1002/omr.1270210404
• 作为产物：
  描述：

  甲基肼 、 4-甲氧基查耳酮 以 乙醇 为溶剂， 反应 3.0h， 生成 1-methyl-3-phenyl-5-p-methoxyphenylpyrazoline
  参考文献：
  名称：

  Heterocycles: 2—Regiospecific addition of methylhydrazine to acetylenic ketones

  摘要：

  AbstractThe reaction of 1‐p‐methoxyphenyl‐3‐phenyl‐2‐propen‐1‐one and 3‐p‐methoxyphenyl‐1‐phenyl‐2‐propen‐1‐one with methylhydrazine gave 1‐methyl‐3‐p‐methoxyphenyl‐5‐phenylpyrazoline and 1‐methyl‐3‐phenyl‐5‐p‐methoxyphenylpyrazoline, respectively. These compounds, on oxidation, gave 1‐methyl‐3‐p‐methoxyphenyl‐5‐phenylpyrazole(2) and 1‐methyl‐3‐phenyl‐5‐p‐methoxyphenylpyrazole, respectively. When methyl‐hydrazine was made to react with 1‐p‐methoxyphenyl‐3‐phenyl‐2‐propyn‐1‐one, a pyrazole was obtained which proved to be identical with 2. Confirmatory evidence for this identity was obtained from their spectral data.

  DOI：

  10.1002/omr.1270210404

文献信息

• Heterocycles. 3. Synthesis and spectral data of some 2-pyrazolines
  作者：Nizar R. El-Rayyes、George H. Hovakeemian、Hayat S. Hmoud

  DOI：10.1021/je00036a038

  日期：1984.4
• EL-RAYYES, NIZAR, R.;HOVAKEEMIAN, G. H.;HMOUD, HAYAT, S., J. CHEM. AND ENG. DATA, 1984, 29, N 2, 225-229
  作者：EL-RAYYES, NIZAR, R.、HOVAKEEMIAN, G. H.、HMOUD, HAYAT, S.

  DOI：——

  日期：——