6-(4-(methyl-3,5-di-O-benzyl-2-O-methylene-α-D-xylofuranose)-1H-1,2,3-triazol-1-yl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]-oxazine | 1612222-57-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(4-(methyl-3,5-di-O-benzyl-2-O-methylene-α-D-xylofuranose)-1H-1,2,3-triazol-1-yl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]-oxazine
• 英文别名: 6-[[4-[[(2S,3R,4S,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl]oxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
• CAS: 1612222-57-7
• 化学式: C₂₉H₃₄N₆O₆
• 分子量: 562.626
• InChiKey: FJROJQZXYQPYAR-PVZROHHQSA-N

物化性质

• 沸点：
  748.2±70.0 °C(predicted)
• 密度：
  1.38±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.53
• 重原子数：
  41.0
• 可旋转键数：
  13.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  116.8
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  以 N,N-二甲基甲酰胺 为溶剂， 以0.193 g的产率得到6-(4-(methyl-3,5-di-O-benzyl-2-O-methylene-α-D-xylofuranose)-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