1-(1-Benzyltriazol-4-yl)non-8-yn-1-ol | 1225377-53-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(1-Benzyltriazol-4-yl)non-8-yn-1-ol
• 英文别名: 1-(1-benzyltriazol-4-yl)non-8-yn-1-ol
• CAS: 1225377-53-6
• 化学式: C₁₈H₂₃N₃O
• 分子量: 297.4
• InChiKey: NXQBKXGQMDMYHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  Undeca-1,10-diyn-3-ol 、 苄基叠氮 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 2.0h， 生成 1-(1-Benzyltriazol-4-yl)non-8-yn-1-ol 、
  参考文献：
  名称：

  Effect of fluorine or oxygen atom(s) in propargylic position on the reactivity in click chemistry

  摘要：

  The use of especially designed omega-diynes allows to establish, through competitive reactions, the effect of C-F, C-OH, CF(2), C=0 and C(OMe)(2) substituents on the reactivity of neighbouring triple bonds in click chemistry and this gives not only a reactivity scale but also a direct access to the difference in activation energies between the competitive reaction pathways. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.02.083

文献信息

• Effect of fluorine or oxygen atom(s) in propargylic position on the reactivity in click chemistry
  作者：Danielle Grée、René Grée

  DOI：10.1016/j.tetlet.2010.02.083

  日期：2010.4

  The use of especially designed omega-diynes allows to establish, through competitive reactions, the effect of C-F, C-OH, CF(2), C=0 and C(OMe)(2) substituents on the reactivity of neighbouring triple bonds in click chemistry and this gives not only a reactivity scale but also a direct access to the difference in activation energies between the competitive reaction pathways. (C) 2010 Elsevier Ltd. All rights reserved.