1-methyl-3(4'-methylphenyl)pyrazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-methyl-3(4'-methylphenyl)pyrazole
• 英文别名: 2-Methyl-5-(4-methylphenyl)-3,4-dihydropyrazole；2-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole
• 化学式: C₁₁H₁₄N₂
• 分子量: 174.246
• InChiKey: PYUMZOPSIUWHQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-methyl-3(4'-methylphenyl)pyrazole 在 manganese(IV) oxide 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以144.6 mg的产率得到1-甲基-3-(4-甲基苯基)吡唑
  参考文献：
  名称：

  Transformation of arenes into 3-arylpyrazoles and 3-arylisoxazolines with β-bromopropionyl chloride, hydrazine, and hydroxylamine

  摘要：

  Successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydrazines and Na2CO3, and then with MnO2 gave the corresponding 3-arylpyrazoles in one pot in good to moderate yields. The same successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydroxylamine and KF gave the corresponding 3-arylisoxazolines in one pot in good to moderate yields. (C) 2020 Elsevier Science. All rights reserved.

  DOI：

  10.1016/j.tet.2019.130920
• 作为产物：
  描述：

  甲苯 在 aluminum (III) chloride 、 sodium carbonate 作用下， 以 丙醇 、 二氯甲烷 、 水 为溶剂， 反应 28.0h， 生成 1-methyl-3(4'-methylphenyl)pyrazole
  参考文献：
  名称：

  Transformation of arenes into 3-arylpyrazoles and 3-arylisoxazolines with β-bromopropionyl chloride, hydrazine, and hydroxylamine

  摘要：

  Successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydrazines and Na2CO3, and then with MnO2 gave the corresponding 3-arylpyrazoles in one pot in good to moderate yields. The same successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydroxylamine and KF gave the corresponding 3-arylisoxazolines in one pot in good to moderate yields. (C) 2020 Elsevier Science. All rights reserved.

  DOI：

  10.1016/j.tet.2019.130920

文献信息

• Subramaniam, Girija; Fishel, Derry L, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 3, p. 172 - 176
  作者：Subramaniam, Girija、Fishel, Derry L

  DOI：——

  日期：——
• Transformation of arenes into 3-arylpyrazoles and 3-arylisoxazolines with β-bromopropionyl chloride, hydrazine, and hydroxylamine
  作者：Takahiro Yamamoto、Hideo Togo

  DOI：10.1016/j.tet.2019.130920

  日期：2020.2

  Successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydrazines and Na2CO3, and then with MnO2 gave the corresponding 3-arylpyrazoles in one pot in good to moderate yields. The same successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydroxylamine and KF gave the corresponding 3-arylisoxazolines in one pot in good to moderate yields. (C) 2020 Elsevier Science. All rights reserved.