3-(2-Bromoethynyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole | 230616-92-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2-Bromoethynyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
• CAS: 230616-92-9
• 化学式: C₁₉H₁₅BrN₂O
• 分子量: 367.245
• InChiKey: VBAVCUBRLOTXGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(2-Bromoethynyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole 在 仲丁基锂 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 [3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-ynyl-phenoxycarbonylamino] phenyl carbonate
  参考文献：
  名称：

  N-Hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase

  摘要：

  Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (la and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00117-1
• 作为产物：
  描述：

  3-(2,2-Dibromoethenyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 3-(2-Bromoethynyl)-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
  参考文献：
  名称：

  N-Hydroxyurea and hydroxamic acid inhibitors of cyclooxygenase and 5-lipoxygenase

  摘要：

  Two series of compounds (1 and 2) having structural features of the dual COX/5-LO inhibitor tepoxalin and the 5-LO inhibitor ABT-761 were prepared. Many of these hybrid compounds are potent COX and 5-LO inhibitors; two compounds (la and 2t) inhibit eicosanoid biosynthesis in an ex vivo assay. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00117-1