3-(4-bromophenyl)-5-p-tolyl-1H-pyrazole | 1187479-94-2

• 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-(4-bromophenyl)-5-p-tolyl-1H-pyrazole
• 英文别名: 3-(4-Bromophenyl)-5-(p-tolyl)-1H-pyrazole；3-(4-bromophenyl)-5-(4-methylphenyl)-1H-pyrazole
• CAS: 1187479-94-2
• 化学式: C₁₆H₁₃BrN₂
• 分子量: 313.197
• InChiKey: WCODYDYXOFEMQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  对溴苯甲醛 在 三氟甲磺酸 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 12.67h， 生成 3-(4-bromophenyl)-5-p-tolyl-1H-pyrazole 、 5-(4-bromophenyl)-3-p-tolyl-1-tosyl-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  A Complementary Approach to 3,5-Substituted Pyrazoles with Tosylhydrazones and Terminal Alkynes Mediated by TfOH

  摘要：

  A complementary method for the preparation of 3,5-substituted pyrazoles in moderate to high yields has been explored via TfOH-induced addition of tosylhydrazones to the terminal alkynes. This acid-induced addition procedure might be an operationally safe alternative compared to typical 1,3-dipolar cycloaddition as there is no involvement of diazo compounds.

  DOI：

  10.1055/s-0032-1316584

文献信息

• A Complementary Approach to 3,5-Substituted Pyrazoles with Tosylhydrazones and Terminal Alkynes Mediated by TfOH
  作者：Xinsheng Lei、Guo-qiang Lin、Ping Liu、Qian-Qian Xu、Chao Dong

  DOI：10.1055/s-0032-1316584

  日期：2012.9

  A complementary method for the preparation of 3,5-substituted pyrazoles in moderate to high yields has been explored via TfOH-induced addition of tosylhydrazones to the terminal alkynes. This acid-induced addition procedure might be an operationally safe alternative compared to typical 1,3-dipolar cycloaddition as there is no involvement of diazo compounds.