1-benzyl-4-(n-butyl)-5-(hex-1-yn-1-yl)-1H-1,2,3-triazole | 1414870-97-5

• 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-benzyl-4-(n-butyl)-5-(hex-1-yn-1-yl)-1H-1,2,3-triazole
• 英文别名: 1-Benzyl-4-butyl-5-hex-1-ynyltriazole
• CAS: 1414870-97-5
• 化学式: C₁₉H₂₅N₃
• 分子量: 295.428
• InChiKey: PRSDLQLRXYAEPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  溴甲苯 、 1-己炔 在 sodium azide 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以54%的产率得到1-benzyl-4-(n-butyl)-5-(hex-1-yn-1-yl)-1H-1,2,3-triazole
  参考文献：
  名称：

  Cu(BTC)-MOF catalyzed multicomponent reaction to construct 1,4-disubstituted-1,2,3-triazoles

  摘要：

  Cu(BTC)-MOF catalyzed one-pot, three-component reaction of terminal alkynes, halides and sodium azide to form 1,4-disubstituted-1,2,3-triazoles was investigated. It was conducted in methanol under room temperature with good to excellent product yields. The Cu(BTC)-MOF catalyst could be easily recovered by filtration and be reused at least three recycles with no significant decrease in the yield. The method was demonstrated to be a truly green process with sustainability and economics. (C) 2018 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2018.05.058

文献信息

• Copper-Catalysed Multicomponent Click Synthesis of 5-Alkynyl 1,2,3-Triazoles under Ambient Conditions
  作者：Francisco Alonso、Yanina Moglie、Gabriel Radivoy、Miguel Yus

  DOI：10.1055/s-0031-1290445

  日期：——

  Copper(I) oxide has been found to effectively catalyse the multicomponent click synthesis of fully substituted 5-alkynyl 1,2,3-triazoles from organic halides, sodium azide, and terminal alkynes in methanol under ambient conditions.