3-(2,3,4-trihydroxybenzoyl)propionic acid | 74882-04-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(2,3,4-trihydroxybenzoyl)propionic acid
• 英文别名: 4-Oxo-4-(2,3,4-trihydroxyphenyl)butanoic acid；4-oxo-4-(2,3,4-trihydroxyphenyl)butanoic acid
• CAS: 74882-04-5
• 化学式: C₁₀H₁₀O₆
• 分子量: 226.186
• InChiKey: HPBJIIWBXPYWSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  16
• 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：
  115
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  丁二酸酐 、 1,2,3-三甲氧基苯 在 三氯化铝 作用下， 以 various solvent(s) 为溶剂， 生成 3-(2,3,4-trihydroxybenzoyl)propionic acid 、 3-(2,3-dihydroxy-4-methoxybenzoyl)propionic acid
  参考文献：
  名称：

  Henley-Smith, Peter; Whiting, Donald A.; Wood, Andrew F., Journal of the Chemical Society. Perkin transactions I, 1980, p. 614 - 622

  摘要：

  DOI：

文献信息

• An efficient chemo-enzymatic approach towards variably functionalized benzotropolones
  作者：Gabi Baisch、Barbara Wagner、Reinhold Öhrlein

  DOI：10.1016/j.tet.2010.03.068

  日期：2010.5

  An efficient three-step synthesis for benzotropolones via three catalytic steps is presented. Pyrogallol phenones are formed in the first step starting from pyrogallol, which is acylated by proton-catalysis. Catalytic hydrogenation of the phenones yields the corresponding alkylated pyrogallyl dervatives. In the final enzyme-catalyzed step the pyrogallol derivatives are annulated to form the benzotropolone cores. An alternative pathway via the Pechmann reaction is also presented. The combination of the three catalytic steps gives access to a wide range of benzotropolone congeners. (C) 2010 Elsevier Ltd. All rights reserved.
• Henley-Smith, Peter; Whiting, Donald A.; Wood, Andrew F., Journal of the Chemical Society. Perkin transactions I, 1980, p. 614 - 622
  作者：Henley-Smith, Peter、Whiting, Donald A.、Wood, Andrew F.

  DOI：——

  日期：——