methyl 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-5-carboxylate | 1369937-31-4

• 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: methyl 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-5-carboxylate
• CAS: 1369937-31-4
• 化学式: C₁₂H₁₁F₃N₂O₂
• 分子量: 272.227
• InChiKey: JFJRLJUWYKIMHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole-5-carboxylate 在 氧气 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 以93%的产率得到methyl 2-(4-(trifluoromethyl)phenyl)imidazole-5-carboxylate
  参考文献：
  名称：

  Highly efficient oxidation of 2-imidazoline-5-carboxylic derivatives to imidazole-5-carboxylic derivatives by dioxygen

  摘要：

  A highly efficient and environmental-benign oxidation by dioxygen (or air) as the sole oxidant was first applied for the conversion of 2-imidazoline-5-carboxylic derivatives to imidazole-5-carboxylic derivatives in very good and excellent yields. The substituent effect on 2-imidazoline ring was investigated. This protocol was also suitable for the synthesis of 2-imidazoles in relatively large scale. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.01.025

文献信息

• Highly efficient oxidation of 2-imidazoline-5-carboxylic derivatives to imidazole-5-carboxylic derivatives by dioxygen
  作者：Yue Huang、Xiaodong Zu、Fan Wu、Jinyi Xu、Xiaoming Wu、Hequan Yao

  DOI：10.1016/j.tet.2012.01.025

  日期：2012.4

  A highly efficient and environmental-benign oxidation by dioxygen (or air) as the sole oxidant was first applied for the conversion of 2-imidazoline-5-carboxylic derivatives to imidazole-5-carboxylic derivatives in very good and excellent yields. The substituent effect on 2-imidazoline ring was investigated. This protocol was also suitable for the synthesis of 2-imidazoles in relatively large scale. (C) 2012 Elsevier Ltd. All rights reserved.