1,2-dihydro-5-methyl-1,2-bis(4-methylphenyl)-3H-pyrazol-3-one | 55908-53-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,2-dihydro-5-methyl-1,2-bis(4-methylphenyl)-3H-pyrazol-3-one
• 英文别名: 1,2-Di-(p-tolyl)-5-methyl-3-pyrazolon；5-methyl-1,2-di-p-tolyl-1,2-dihydro-pyrazol-3-one；5-Methyl-1,2-bis(4-methylphenyl)pyrazol-3-one
• CAS: 55908-53-7
• 化学式: C₁₈H₁₈N₂O
• 分子量: 278.354
• InChiKey: QBVRHFJCRNNKMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙酸酐 、 1,2-双(4-甲基苯基)肼 在 4-二甲氨基吡啶 吡啶 作用下， 反应 12.0h， 以62%的产率得到1-acetyl-1,2-bis(4-methylphenyl)hydrazine
  参考文献：
  名称：

  Reaction of 1,2-diarylhydrazines with acetic anhydride catalyzed by 4-(dimethylamino)pyridine

  摘要：

  A new method for the synthesis of 1,2-diaryl-1,2-dihydro-5-methyl-3H-pyrazol-3-ones 3 and 4-acetyl-1,2-diaryl-1,2-dihydro-5-methyl-3H-pyrazol-3-ones 5 is presented. The reaction of 4,4'-disubstituted 1,2-diarylhydrazines 1 with acetic anhydride in the presence of an equimolar amount of 4-(dimethylamino)pyridine leads to mixtures of the corresponding acetyl derivatives 2 and 3. Under the same conditions, 2,2'-disubstituted 1,2-diarylhydrazines yield mixtures of 3 and 5.

  DOI：

  10.1007/bf00809807

文献信息

• Reaction of 1,2-diarylhydrazines with acetic anhydride catalyzed by 4-(dimethylamino)pyridine
  作者：Gertraud Chiste、Helmut Egg、Klemens Kraus、Elisabeth Pipitz、Elisabeth Spanyar

  DOI：10.1007/bf00809807

  日期：——

  A new method for the synthesis of 1,2-diaryl-1,2-dihydro-5-methyl-3H-pyrazol-3-ones 3 and 4-acetyl-1,2-diaryl-1,2-dihydro-5-methyl-3H-pyrazol-3-ones 5 is presented. The reaction of 4,4'-disubstituted 1,2-diarylhydrazines 1 with acetic anhydride in the presence of an equimolar amount of 4-(dimethylamino)pyridine leads to mixtures of the corresponding acetyl derivatives 2 and 3. Under the same conditions, 2,2'-disubstituted 1,2-diarylhydrazines yield mixtures of 3 and 5.