ethyl 3,3,3-trifluoro-2-isocyanato-2-phenylpropionate | 1380613-03-5

• 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: ethyl 3,3,3-trifluoro-2-isocyanato-2-phenylpropionate
• 英文别名: Ethyl 3,3,3-trifluoro-2-isocyanato-2-phenylpropanoate
• CAS: 1380613-03-5
• 化学式: C₁₂H₁₀F₃NO₃
• 分子量: 273.212
• InChiKey: HBXOADIEOFLBNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 3,3,3-trifluoro-2-isocyanato-2-phenylpropionate 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 5-trifluoromethyl-3-(pyridin-3-yl)methyl-5-phenylimidazolidine-2,4-dione
  参考文献：
  名称：

  Esters of 2-aryl-2-isocyanato-3,3,3-trifluoropropionic acid in cyclocondensation with amines

  摘要：

  The hitherto unknown representatives of fluorinated isocyanates, esters of 2-aryl-2-isocyanato-3,3,3-trifluoropropionic acid, were prepared. The synthetic potential of these compounds for preparation of trifluoromethylated hydantoins by the reactions of cyclocondensation with primary amines was demonstrated.

  DOI：

  10.1134/s1070363212040111
• 作为产物：
  描述：

  ethyl trifluoropyruvate ethoxycarbonylimine 在 五氯化磷 作用下， 以 四氢呋喃 、 三氯氧磷 为溶剂， 反应 3.0h， 生成 ethyl 3,3,3-trifluoro-2-isocyanato-2-phenylpropionate
  参考文献：
  名称：

  Esters of 2-aryl-2-isocyanato-3,3,3-trifluoropropionic acid in cyclocondensation with amines

  摘要：

  The hitherto unknown representatives of fluorinated isocyanates, esters of 2-aryl-2-isocyanato-3,3,3-trifluoropropionic acid, were prepared. The synthetic potential of these compounds for preparation of trifluoromethylated hydantoins by the reactions of cyclocondensation with primary amines was demonstrated.

  DOI：

  10.1134/s1070363212040111

文献信息

• Esters of 2-aryl-2-isocyanato-3,3,3-trifluoropropionic acid in cyclocondensation with amines
  作者：V. B. Sokolov、T. A. Epishina、A. Yu. Aksinenko

  DOI：10.1134/s1070363212040111

  日期：2012.4

  The hitherto unknown representatives of fluorinated isocyanates, esters of 2-aryl-2-isocyanato-3,3,3-trifluoropropionic acid, were prepared. The synthetic potential of these compounds for preparation of trifluoromethylated hydantoins by the reactions of cyclocondensation with primary amines was demonstrated.