[4-[[1-[5-[4-[[4-(Hydroxymethyl)phenoxy]methyl]triazol-1-yl]pentyl]triazol-4-yl]methoxy]phenyl]methanol | 1403338-82-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [4-[[1-[5-[4-[[4-(Hydroxymethyl)phenoxy]methyl]triazol-1-yl]pentyl]triazol-4-yl]methoxy]phenyl]methanol
• CAS: 1403338-82-8
• 化学式: C₂₅H₃₀N₆O₄
• 分子量: 478.551
• InChiKey: ZIAWLWVMUNZTJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  35
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,4-bis(ethoxy)pillar[5]arene 、 [4-[[1-[5-[4-[[4-(Hydroxymethyl)phenoxy]methyl]triazol-1-yl]pentyl]triazol-4-yl]methoxy]phenyl]methanol 以 氯仿 为溶剂， 反应 2.0h， 生成
  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
• 作为产物：
  描述：

  对羟基苯甲醛 在 sodium tetrahydroborate 、 copper(ll) sulfate pentahydrate 、 potassium carbonate 、 sodium ascorbate 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 48.0h， 生成 [4-[[1-[5-[4-[[4-(Hydroxymethyl)phenoxy]methyl]triazol-1-yl]pentyl]triazol-4-yl]methoxy]phenyl]methanol
  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