4-Hydroxy-5-methyl-biphenyl-3-carboxylic acid | 67531-89-9

• 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: 4-Hydroxy-5-methyl-biphenyl-3-carboxylic acid
• 英文别名: 2-Hydroxy-3-methyl-5-phenylbenzoic acid
• CAS: 67531-89-9
• 化学式: C₁₄H₁₂O₃
• 分子量: 228.247
• InChiKey: VETYJSJUELVXQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二氧化碳 、 4-羟基-1,1'-联苯-3-羧酸甲酯 生成 4-Hydroxy-5-methyl-biphenyl-3-carboxylic acid
  参考文献：
  名称：

  Novel analgesic-antiinflammatory salicylates

  摘要：

  5-(2,4-Difluorophenyl)salicylic acid, diflunisal (25), is the best compound, in terms of both efficacy and safety, from over 500 salicylates investigated in our laboratories. It is a chemically distinct, nonacetylating salicylic acid, more active than aspirin as an analgesic and antiinflammatory agent and superior in duration of action and therapeutic index. Some recent clinical and biochemical observations are briefly discussed.

  DOI：

  10.1021/jm00209a001

文献信息

• US5017546A
  申请人：——

  公开号：US5017546A

  公开（公告）日：1991-05-21
• US5141557A
  申请人：——

  公开号：US5141557A

  公开（公告）日：1992-08-25
• Novel analgesic-antiinflammatory salicylates
  作者：J. Hannah、W. V. Ruyle、H. Jones、A. R. Matzuk、K. W. Kelly、B. E. Witzel、W. J. Holtz、R. A. Houser、T. Y. Shen

  DOI：10.1021/jm00209a001

  日期：1978.11

  5-(2,4-Difluorophenyl)salicylic acid, diflunisal (25), is the best compound, in terms of both efficacy and safety, from over 500 salicylates investigated in our laboratories. It is a chemically distinct, nonacetylating salicylic acid, more active than aspirin as an analgesic and antiinflammatory agent and superior in duration of action and therapeutic index. Some recent clinical and biochemical observations are briefly discussed.