4-乙酰氧基-2,4-二氟联苯-3-羧酸 | 55543-97-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-乙酰氧基-2,4-二氟联苯-3-羧酸
• 英文名称: acetyldiflunisal
• 英文别名: 2’,4‘-difluoro-4-acetoxy-[1,1‘-biphenyl]-3-carboxylic acid；Agn-PC-0N4lmd；2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
• CAS: 55543-97-0
• 化学式: C₁₅H₁₀F₂O₄
• 分子量: 292.239
• InChiKey: LISFBZUVDUFOFV-UHFFFAOYSA-N

物化性质

• 熔点：
  161-165 °C
• 沸点：
  423.8±45.0 °C(Predicted)
• 密度：
  1.370±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-乙酰氧基-2,4-二氟联苯-3-羧酸 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 生成 5-(2,4-difluorophenyl)-N,N-diethyl-2-hydroxybenzamide
  参考文献：
  名称：

  Synthesis and biological evaluation of amide derivatives of diflunisal as potential anti-inflammatory agents

  摘要：

  To improve the medicinal activity, the structure of diflunisal has been modified. Twenty-one amide derivatives of diflunisal were synthesized starting from diflunisal in three steps with total yields from 72% to 89%. All compounds were identified by (1)H NMR, MS, and elemental analysis. The anti-inflammatory and analgesic activities for 19 compounds were evaluated. It was found that 5m possesses an excellent anti-inflammatory activity and a good analgesic activity, maybe a potential anti-inflammatory agent. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.035
• 作为产物：
  描述：

  二氟尼柳 以 氯仿 为溶剂， 反应 3.5h， 生成 4-乙酰氧基-2,4-二氟联苯-3-羧酸
  参考文献：
  名称：

  Synthesis and biological evaluation of amide derivatives of diflunisal as potential anti-inflammatory agents

  摘要：

  To improve the medicinal activity, the structure of diflunisal has been modified. Twenty-one amide derivatives of diflunisal were synthesized starting from diflunisal in three steps with total yields from 72% to 89%. All compounds were identified by (1)H NMR, MS, and elemental analysis. The anti-inflammatory and analgesic activities for 19 compounds were evaluated. It was found that 5m possesses an excellent anti-inflammatory activity and a good analgesic activity, maybe a potential anti-inflammatory agent. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.035

文献信息

• FATTY ACID ACETYLATED SALICYLATES AND THEIR USES
  申请人：Milne Jill C.

  公开号：US20100041748A1

  公开（公告）日：2010-02-18

  The invention relates to Fatty Acid Acetylated Salicylate Derivatives; compositions comprising an effective amount of a Fatty Acid Acetylated Salicylate Derivative; and methods for treating or preventing an inflammatory disorder comprising the administration of an effective amount of a Fatty Acid Acetylated Salicylate Derivative.

  本发明涉及脂肪酸乙酰水杨酸衍生物；包含有效量的脂肪酸乙酰水杨酸衍生物的组合物；以及用于治疗或预防炎症性疾病的方法，包括给药有效量的脂肪酸乙酰水杨酸衍生物。
• Radical Decarboxylative Carbometalation of Benzoic Acids: A Solution to Aromatic Decarboxylative Fluorination
  作者：Peng Xu、Priscila López-Rojas、Tobias Ritter

  DOI：10.1021/jacs.1c02490

  日期：2021.4.14

  aromatic carboxylic acids exist in great structural diversity from nature and synthesis. To date, the synthetically valuable decarboxylative functionalization of benzoic acids is realized mainly by transition-metal-catalyzed decarboxylative cross couplings. However, the high activation barrier for thermal decarboxylative carbometalation that often requires 140 °C reaction temperature limits both the

  丰富的芳香羧酸存在于自然界和合成中的巨大结构多样性中。迄今为止，苯甲酸的具有合成价值的脱羧官能化主要是通过过渡金属催化的脱羧交叉偶联来实现的。然而，通常需要 140 °C 反应温度的热脱羧碳金属化的高活化能垒限制了底物范围以及可以维持这种条件的合适反应的范围。许多反应，例如，为脂肪族羧酸很好地开发的脱羧氟化，对于芳香族对应物来说，用当前的反应化学是无法实现的。这里，我们报告了一种概念上不同的方法，通过低势垒光诱导配体到金属电荷转移 (LMCT) 启用自由基脱羧碳金属化策略，该策略生成假定的高价芳基铜 (III) 配合物，从中可以发生通用的轻松还原消除。我们证明了我们的新方法适用于解决以前未实现的苯甲酸的一般脱羧氟化。
• Improved anti-inflammatory combinations having reduced ulcerogenicity
  申请人：Merck & Co., Inc.

  公开号：EP0017169A1

  公开（公告）日：1980-10-15

  A novel drug combination for more effective treatment of pain, fever, and inflammation with reduced ulcerogenicity comprising either 1-(p-chlorobenzoyl)-5-methoxy-2-methylindo|e-3-acetic acid (indomethacin), and (b) a member selected from phenyl benzoic acid compounds, especially 2-hydroxy-5-(2',4'-difluorophenyl)benzoic acid (diflunisal), wherein the molar ratio of (b) to (a) is from 0.5 to 1.0 to 15.0 to 1.0; or a member selected from (b) and one or more members selected from ibuprofen, ketoprofen, naproxen, diclofenac sodium, tolmetin, flurbiprofen, indoprofen, benozaprofen, piroxicam.

  一种用于更有效地治疗疼痛、发热和炎症并降低溃疡发生率的新型药物组合，包括 1-(对氯苯甲酰基)-5-甲氧基-2-甲基吲哚|e-3-乙酸(吲哚美辛)，和(b)选自苯基苯甲酸化合物，特别是 2-羟基-5-(2',4'-二氟苯基)苯甲酸(二氟尼柳)的成员，其中(b)与(a)的摩尔比为 0.5至1.0至15.0至1.0；或选自(b)和一种或多种选自布洛芬、酮洛芬、萘普生、双氯芬酸钠、托美汀、氟比洛芬、吲哚洛芬、苯唑洛芬、吡罗昔康的成员。
• Composition containing a phenyl benzoic acid compound and acetaminophen combination for the treatment of pain and inflammation and process for preparing the same
  申请人：Merck & Co., Inc.

  公开号：EP0017102A1

  公开（公告）日：1980-10-15

  A drug combination for more effective treatment of pain and inflammation comprising (a) a halogenated phenyl benzoic acid compound and (b) acetaminophen. The combination exhibits more rapid onset of action and more extended action, and provides more safety and fewer side effects than either ingredient alone.

  一种能更有效治疗疼痛和炎症的复方药物，由(a)卤代苯基苯甲酸化合物和(b)对乙酰氨基酚组成。与单独使用其中一种成分相比，这种复方制剂起效更快，作用时间更长，安全性更高，副作用更少。
• Fatty acid acetylated salicylates and their uses
  申请人：Catabasis Pharmaceuticals, Inc.

  公开号：EP2813486A1

  公开（公告）日：2014-12-17

  The invention relates to Fatty Acid Acetylated Salicylate Derivatives; compositions comprising an effective amount of a Fatty Acid Acetylated Salicylate Derivative; and methods for treating or preventing an inflammatory disorder comprising the administration of an effective amount of a Fatty Acid Acetylated Salicylate Derivative.

  本发明涉及脂肪酸乙酰化水杨酸衍生物；包含有效量脂肪酸乙酰化水杨酸衍生物的组合物；以及通过施用有效量脂肪酸乙酰化水杨酸衍生物治疗或预防炎症性疾病的方法。