2-tert.-Butyl-imidazol-4,5-dicarbonsaeure | 51294-22-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-tert.-Butyl-imidazol-4,5-dicarbonsaeure
• 英文别名: 2-t-Butylimidazole-4,5-dicarboxylic acid；2-tert-butyl-1H-imidazole-4,5-dicarboxylic acid
• CAS: 51294-22-5
• 化学式: C₉H₁₂N₂O₄
• 分子量: 212.205
• InChiKey: PLUQIDFYUWWKAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-叔丁基苯咪唑 在 硫酸 、 双氧水 作用下， 以 水 为溶剂， 反应 0.5h， 以52%的产率得到2-tert.-Butyl-imidazol-4,5-dicarbonsaeure
  参考文献：
  名称：

  Influence of Oxidation Conditions on the Yield of 2-Substituted Imidazole-4,5-dicarboxylic Acids

  摘要：

  Conditions were found which allow 2-alkyl-substituted imidazole-4,5-dicarboxylic acids to be synthesized in preparative quantities by the oxidation of 2-alkylbenzimidazoles with hydrogen peroxide. It was shown that optimal results can be obtained at the concentration of 2-alkylimidazole in sulfuric acid of 1 M and the hydrogen peroxide: 2-alkylbenzimidazole molar ratio of 11: 1. Oxidation under these conditions results in higher yields of the target 2-alkylimidazole-4,5-dicarboxylic acids, including those with a branched alkyl group.

  DOI：

  10.1134/s1070363218050055

文献信息

• Influence of Oxidation Conditions on the Yield of 2-Substituted Imidazole-4,5-dicarboxylic Acids
  作者：M. A. Brusina、Yu. A. Gubina、D. N. Nikolaev、S. M. Ramsh、L. B. Piotrovskii

  DOI：10.1134/s1070363218050055

  日期：2018.5

  Conditions were found which allow 2-alkyl-substituted imidazole-4,5-dicarboxylic acids to be synthesized in preparative quantities by the oxidation of 2-alkylbenzimidazoles with hydrogen peroxide. It was shown that optimal results can be obtained at the concentration of 2-alkylimidazole in sulfuric acid of 1 M and the hydrogen peroxide: 2-alkylbenzimidazole molar ratio of 11: 1. Oxidation under these conditions results in higher yields of the target 2-alkylimidazole-4,5-dicarboxylic acids, including those with a branched alkyl group.