3-(N,N-dimethyl-2',4'-dioxo-1',2',3',4'3,6-diphenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-tetrahydropyrimidin-5-yl)-7-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine | 1146630-45-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(N,N-dimethyl-2',4'-dioxo-1',2',3',4'3,6-diphenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-tetrahydropyrimidin-5-yl)-7-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
• 英文别名: 1,3-dimethyl-5-(7-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)pyrimidine-2,4-dione
• CAS: 1146630-45-6
• 化学式: C₁₇H₁₇N₅O₃
• 分子量: 339.354
• InChiKey: BSNWTXCHLKEBTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  80.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  [1-azido-2-(prop-2-ynyloxy)ethyl]benzene 、 5-碘-1,3-的甲基尿嘧啶 在 四丁基溴化铵 、 palladium diacetate 、 potassium carbonate 、 三苯基膦 、 copper(l) iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.92h， 以49%的产率得到3-(N,N-dimethyl-2',4'-dioxo-1',2',3',4'3,6-diphenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-tetrahydropyrimidin-5-yl)-7-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
  参考文献：
  名称：

  Expedient and Rapid Synthesis of 1,2,3-Triazolo[5,1-c]morpholines through Palladium−Copper Catalysis

  摘要：

  A one-pot approach using palladium-copper as catalyst has been developed for the synthesis of morpholines fused with 1,2,3-triazole. Good regioselectivity, mild reaction conditions, high yields and short reaction time are the hallmarks of this method.

  DOI：

  10.1021/jo900428j

文献信息

• Expedient and Rapid Synthesis of 1,2,3-Triazolo[5,1-<i>c</i>]morpholines through Palladium−Copper Catalysis
  作者：Chinmay Chowdhury、Sanjukta Mukherjee、Bimolendu Das、Basudeb Achari

  DOI：10.1021/jo900428j

  日期：2009.5.1

  A one-pot approach using palladium-copper as catalyst has been developed for the synthesis of morpholines fused with 1,2,3-triazole. Good regioselectivity, mild reaction conditions, high yields and short reaction time are the hallmarks of this method.