6-(4-(4-N-methylene-1-N-phenylpiperazine)-1H-1,2,3-triazol-1-yl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine | 1612222-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-(4-(4-N-methylene-1-N-phenylpiperazine)-1H-1,2,3-triazol-1-yl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
• CAS: 1612222-61-3
• 化学式: C₁₉H₂₄N₈O
• 分子量: 380.453
• InChiKey: ZIEDPZZMWFQWAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.79
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  77.13
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  以 N,N-二甲基甲酰胺 为溶剂， 以0.275 g的产率得到6-(4-(4-N-methylene-1-N-phenylpiperazine)-1H-1,2,3-triazol-1-yl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
  参考文献：
  名称：

  Click Chemistry Inspired Synthesis of Morpholine-Fused Triazoles

  摘要：

  The synthesis of triazolyl azido alcohols from terminal alkyne via oxirane ring-opening of epichlorohydrin, followed by click reaction with alkynes, and subsequent azidation of chlorohydroxy triazoles was achieved under a one-pot methodology. The developed triazolyl azido alcohols were further utilized for the synthesis of a diverse range of morpholine-fused triazoles of chemotherapeutic value. The structure of all developed compounds has been elucidated using IR. NMR, MS, and elemental analysis, where four of them have been characterized by single-crystal X-ray analysis.

  DOI：

  10.1021/jo500890w