bromoethenetricarboxylic acid | 201281-81-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: bromoethenetricarboxylic acid
• 英文别名: 2-Bromo-1,1,2-ethenetricarboxylic acid；2-bromoethene-1,1,2-tricarboxylic acid
• CAS: 201281-81-4
• 化学式: C₅H₃BrO₆
• 分子量: 238.979
• InChiKey: VRNLRJORPBMXNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  溴丙二酸 在 cerium (IV) sulfate 、 硫酸 作用下， 以 水 为溶剂， 反应 4.0h， 生成 bromoethenetricarboxylic acid
  参考文献：
  名称：

  HPLC Studies on the Organic Subset of the Oscillatory BZ Reaction. 3. Products of the Ce⁴⁺−Bromomalonic Acid Reaction

  摘要：

  Using HPLC technique, two different pathways were found for the oxidation of bromomalonic acid by Ce4+. One route is dominant when the Ce4+ concentration is low compared to that of bromomalonic acid (BrMA). Tbe end products of this reaction route are bromoethenetricarboxylic acid (BrEETRA), CO2, and Br-. For this route two slightly different mechanisms (both are based on radical-radical recombination reactions) are proposed, which can explain the formation of BrEETRA. The other pathway is dominant when Ce4+ is in excess. This route leads to a complete oxidation of BrMA to CO2. No intermediates of this route were found, however.

  DOI：

  10.1021/jp9727254