2-(4-(4-methoxyphenoxy)phenyl)-2-oxoacetic acid | 1093730-39-2

• 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: 2-(4-(4-methoxyphenoxy)phenyl)-2-oxoacetic acid
• 英文别名: 2-[4-(4-Methoxyphenoxy)phenyl]-2-oxoacetic acid
• CAS: 1093730-39-2
• 化学式: C₁₅H₁₂O₅
• 分子量: 272.257
• InChiKey: ALWFZZXKJLULCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-乙酰-4’-甲氧基联苯醚 在 吡啶 、 selenium(IV) oxide 作用下， 以99%的产率得到2-(4-(4-methoxyphenoxy)phenyl)-2-oxoacetic acid
  参考文献：
  名称：

  Synthesis of Arylglyoxylic Acids and Their Collision-Induced Dissociation

  摘要：

  A variety of substituted arylglyoxylic acids (2a-g) were synthesized via oxidation of the corresponding aryl-methylketones (1a-e) using selenium dioxide or Friedel-Crafts acylation of phenol (3) with ethyl chlorooxoacetate and further transformations. It was found that the arylglyoxylic acids (2) undergo facile unimolecular dissociation with loss of carbon monoxide to give the corresponding arylcarboxylic acids (7) under collisionally induced mass spectrometric conditions.

  DOI：

  10.1080/00397910802369554

文献信息

• Synthesis of Arylglyoxylic Acids and Their Collision-Induced Dissociation
  作者：Kuldeep Wadhwa、Chengxi Yang、Paul R. West、Kris C. Deming、Sanjay R. Chemburkar、Rajarathnam E. Reddy

  DOI：10.1080/00397910802369554

  日期：2008.11.13

  A variety of substituted arylglyoxylic acids (2a-g) were synthesized via oxidation of the corresponding aryl-methylketones (1a-e) using selenium dioxide or Friedel-Crafts acylation of phenol (3) with ethyl chlorooxoacetate and further transformations. It was found that the arylglyoxylic acids (2) undergo facile unimolecular dissociation with loss of carbon monoxide to give the corresponding arylcarboxylic acids (7) under collisionally induced mass spectrometric conditions.