5-methyl-2-oxo-1-phenyl-2,3-dihydro-1H-imidazole-4-carboxylic acid | 14058-89-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-2-oxo-1-phenyl-2,3-dihydro-1H-imidazole-4-carboxylic acid
• 英文别名: 4-methyl-2-oxo-3-phenyl-1H-imidazole-5-carboxylic acid
• CAS: 14058-89-0
• 化学式: C₁₁H₁₀N₂O₃
• 分子量: 218.212
• InChiKey: CDOGFHZXAVNSHF-UHFFFAOYSA-N

物化性质

• 熔点：
  244-245 °C (decomp)
• 密度：
  1.380±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  69.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙酰乙酸叔丁酯 、 苯基脲 以61%的产率得到5-methyl-2-oxo-1-phenyl-2,3-dihydro-1H-imidazole-4-carboxylic acid
  参考文献：
  名称：

  Solid-phase synthesis of oxazolones and other heterocycles via Wang resin-bound diazocarbonyls

  摘要：

  The preparation of Wang resin bound alpha-diazo-beta-ketoesters is described. These highly useful intermediates were used for the synthesis of a series of heterocycle libraries, which were obtained from the resin using TFA cleavage. In addition, a novel route for the synthesis of oxazolones using an N-H insertion strategy is disclosed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.061