1,2-diethyl 3-methyl 5-phenyl-1H-1,2,4-triazole-1,2,3(5H)-tricarboxylate | 1380335-41-0

• 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: 1,2-diethyl 3-methyl 5-phenyl-1H-1,2,4-triazole-1,2,3(5H)-tricarboxylate
• 英文别名: 1-O,2-O-diethyl 5-O-methyl 3-phenyl-3H-1,2,4-triazole-1,2,5-tricarboxylate
• CAS: 1380335-41-0
• 化学式: C₁₆H₁₉N₃O₆
• 分子量: 349.343
• InChiKey: DPBWSVPIFQZVMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  97.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [(苯基甲亚基)氨基]乙酸甲酯 、 偶氮二甲酸二乙酯 在 potassium carbonate 作用下， 以 甲基叔丁基醚 为溶剂， 反应 8.0h， 以54%的产率得到1,2-diethyl 3-methyl 5-phenyl-1H-1,2,4-triazole-1,2,3(5H)-tricarboxylate
  参考文献：
  名称：

  New 1,3-dipolar cycloaddition/dehydrogenation of azomethines ylides and azodicarboxylates: direct and effective construction of unsaturated 1,2,4-triazolines

  摘要：

  The first K2CO3-catalyzed 1,3-dipolar cycloaddition/dehydrogenation of azodicarboxylates with azomethines was developed and a wide range of unsaturated 1,2,4-triazolines have been successfully prepared in good yields (up to 93%). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.083

文献信息

• New 1,3-dipolar cycloaddition/dehydrogenation of azomethines ylides and azodicarboxylates: direct and effective construction of unsaturated 1,2,4-triazolines
  作者：Qi-Lin Wang、Ji-Ya Fu、Lin Peng、Qing-Chuan Yang、Li-Na Jia、Xi-Ya Luo、Yong-Yuan Gui、Fang Tian、Wen Wang、Xiao-Ying Xu、Li-Xin Wang

  DOI：10.1016/j.tetlet.2012.03.083

  日期：2012.6

  The first K2CO3-catalyzed 1,3-dipolar cycloaddition/dehydrogenation of azodicarboxylates with azomethines was developed and a wide range of unsaturated 1,2,4-triazolines have been successfully prepared in good yields (up to 93%). (C) 2012 Elsevier Ltd. All rights reserved.