Copper(1+) 3-methylbut-3-en-1-yn-1-ide | 56964-06-8

• 分子结构分类: 有机化合物 - 乙炔化物 - 金属乙炔化物
• 英文名称: Copper(1+) 3-methylbut-3-en-1-yn-1-ide
• 英文别名: copper(1+);2-methylbut-1-en-3-yne
• CAS: 56964-06-8
• 化学式: 2C₅H₅*2Cu
• 分子量: 257.281
• InChiKey: PIKQBRANVKXSQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.15
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2931900090

反应信息

• 作为反应物：
  描述：

  Copper(1+) 3-methylbut-3-en-1-yn-1-ide 、 草酰氯单乙酯 、 苄基叠氮 以 氯苯 为溶剂， 反应 4.0h， 以77%的产率得到1-benzyl-4-(1-methylvinyl)-5-(2-ethoxy-1,2-dioxoethyl)-1,2,3-triazole
  参考文献：
  名称：

  Easy preparation of 1,4,5-trisubstituted 5-(2-alkoxy-1,2-dioxoethyl)-1,2,3-triazoles by chemoselective trapping of copper(I)–carbon bond with alkoxalyl chloride

  摘要：

  We found that alkoxalyl chloride (ClCOCO2R) did not carry out an acylation on 1-copper(I) alkyne in solvent without additives, but chemoselectively on 5-copper(I) 1,2,3-triazole (an intermediate in cycloaddition of 1-copper(I) alkyne and azide). Thus, a one-pot preparation of 1,4,5-trisubstituted 5-(2-alkoxy-1,2-dioxoethyl)-1,2,3-triazole was achieved by simply stirring the mixture of 1-copper(I) alkyne, azide, and alkoxalyl chloride at room temperature for 4 h. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.08.121

文献信息

• Easy preparation of 1,4,5-trisubstituted 5-(2-alkoxy-1,2-dioxoethyl)-1,2,3-triazoles by chemoselective trapping of copper(I)–carbon bond with alkoxalyl chloride
  作者：Bo Wang、Muhammad Naeem Ahmed、Jianlan Zhang、Wenwen Chen、Xinyan Wang、Yuefei Hu

  DOI：10.1016/j.tetlet.2013.08.121

  日期：2013.11

  We found that alkoxalyl chloride (ClCOCO2R) did not carry out an acylation on 1-copper(I) alkyne in solvent without additives, but chemoselectively on 5-copper(I) 1,2,3-triazole (an intermediate in cycloaddition of 1-copper(I) alkyne and azide). Thus, a one-pot preparation of 1,4,5-trisubstituted 5-(2-alkoxy-1,2-dioxoethyl)-1,2,3-triazole was achieved by simply stirring the mixture of 1-copper(I) alkyne, azide, and alkoxalyl chloride at room temperature for 4 h. (C) 2013 Elsevier Ltd. All rights reserved.