1,5-bis(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)pentane | 1403338-84-0

• 英文名称: 1,5-bis(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)pentane
• 英文别名: 4-(Phenoxymethyl)-1-[5-[4-(phenoxymethyl)triazol-1-yl]pentyl]triazole
• CAS: 1403338-84-0
• 化学式: C₂₃H₂₆N₆O₂
• 分子量: 418.498
• InChiKey: BLPXXXMGCLLGHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  79.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  苯酚 在 copper(ll) sulfate pentahydrate 、 potassium carbonate 、 sodium ascorbate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 48.0h， 生成 1,5-bis(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)pentane
  参考文献：
  名称：

  Novel [2]rotaxanes based on the recognition of pillar[5]arenes to an alkane functionalized with triazole moieties

  摘要：

  Host guest complexation between an alkane functionalized with triazole moieties and three pillar[5]arenes was studied. Three pillar[5]arene-based [2]rotaxanes were constructed based on this new recognition motif. The sequence of the yields of these [2]rotaxanes was consistent with the order of association constants between the three corresponding and the alkane. H-1 NMR, electrospray ionization mass spectrometry,and NOESY NMR were employed to characterize these [2]rotaxanes. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.09.018