diethyl 3-ethoxy-5-(4-(trifluoromethyl)phenyl)-5H-1,2,4-triazole-1,4-dicarboxylate | 1283750-17-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: diethyl 3-ethoxy-5-(4-(trifluoromethyl)phenyl)-5H-1,2,4-triazole-1,4-dicarboxylate
• 英文别名: diethyl 5-ethoxy-3-[4-(trifluoromethyl)phenyl]-3H-1,2,4-triazole-2,4-dicarboxylate
• CAS: 1283750-17-3
• 化学式: C₁₇H₂₀F₃N₃O₅
• 分子量: 403.358
• InChiKey: RWIMQDOHCQCFLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  80.7
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  ethyl phenylsulfonyl(4-(trifluoromethyl)phenyl)methylcarbamate 、 偶氮二甲酸二乙酯 在 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以94%的产率得到diethyl 3-ethoxy-5-(4-(trifluoromethyl)phenyl)-5H-1,2,4-triazole-1,4-dicarboxylate
  参考文献：
  名称：

  Phosphine-mediated annulation of N-protected imines with DEAD

  摘要：

  In the presence of triphenylphosphine, the reactions of N-protected imines or their precursors with DEAD proceeded smoothly to give the corresponding functionalized 1H-1,2,4-triazole-1,4(5H)-di-carboxylate derivatives in good to high yields under mild conditions. A plausible mechanism has been proposed on the basis of the control experiments. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.01.072

文献信息

• Phosphine-mediated annulation of N-protected imines with DEAD
  作者：Zhong Lian、Xiao-Yang Guan、Min Shi

  DOI：10.1016/j.tet.2011.01.072

  日期：2011.3

  In the presence of triphenylphosphine, the reactions of N-protected imines or their precursors with DEAD proceeded smoothly to give the corresponding functionalized 1H-1,2,4-triazole-1,4(5H)-di-carboxylate derivatives in good to high yields under mild conditions. A plausible mechanism has been proposed on the basis of the control experiments. (C) 2011 Elsevier Ltd. All rights reserved.