3-hydroxy-4-oxo-4-phenyl-butyric acid | 861364-13-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-hydroxy-4-oxo-4-phenyl-butyric acid
• 英文别名: β-Oxy-β-benzoyl-propionsaeure；3-Hydroxy-4-oxo-4-phenyl-buttersaeure；β-Oxy-γ-oxo-γ-phenyl-propan-α-carbonsaeure；β-Oxy-γ-oxo-γ-phenyl-buttersaeure；β-Benzoyl-hydracrylsaeure；3-Carboxy-2-hydroxypropiophenone；3-hydroxy-4-oxo-4-phenylbutanoic acid
• CAS: 861364-13-8
• 化学式: C₁₀H₁₀O₄
• 分子量: 194.187
• InChiKey: XEWJGNWDHKPMKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-hydroxy-4-oxo-4-phenyl-butyric acid 在 sodium hydroxide 、 盐酸羟胺 作用下， 生成 3-hydroxy-4-hydroxyimino-4-phenyl-butyric acid
  参考文献：
  名称：

  Fischer,E.; Stewart, Chemische Berichte, 1892, vol. 25, p. 2556

  摘要：

  DOI：
• 作为产物：
  描述：

  3-溴-4-氧代-4-苯基丁酸 在 sodium carbonate 作用下， 生成 3-hydroxy-4-oxo-4-phenyl-butyric acid
  参考文献：
  名称：

  Rice, Journal of the American Chemical Society, 1923, vol. 45, p. 231

  摘要：

  DOI：

文献信息

• Methylflavone-8-carboxylates
  申请人：Nippon Shinyaku Co. Ltd.

  公开号：US04594345A1

  公开（公告）日：1986-06-10

  3-methylflavone derivatives which are useful in the treatment of allergies, asthma and inflammation.

  3-甲基黄酮衍生物对于过敏、哮喘和炎症的治疗具有用处。
• Bougault, Annales de Chimie (Cachan, France), 1908, vol. <8> 15, p. 501
  作者：Bougault

  DOI：——

  日期：——
• Acetylphosphonate as a Surrogate of Acetate or Acetamide in Organocatalyzed Enantioselective Aldol Reactions
  作者：Jie Guang、Qunsheng Guo、John Cong-Gui Zhao

  DOI：10.1021/ol301270w

  日期：2012.6.15

  Highly enantioselective aldol reactions of acetylphosphonates and activated carbonyl compounds was realized with cinchona alkaloid derived catalysts, in which the acetylphosphonate was directly used as an enolate precursor for the first time. The aldol product obtained was converted in situ to its corresponding ester or amide through methanolysis or aminolysis. The overall process may be viewed as formal highly enantioselective acetate or acetamide aldol reactions, which are very difficult to achieve directly with organocatalytic methods.
• Methylflavone derivatives
  申请人：NIPPON SHINYAKU COMPANY, LIMITED

  公开号：EP0100250B1

  公开（公告）日：1987-03-04
• JPS6061570A
  申请人：——

  公开号：JPS6061570A

  公开（公告）日：1985-04-09