3-(2-acetyloxyethyl)triazole-4-carboxylic acid | 1245932-50-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 3-(2-acetyloxyethyl)triazole-4-carboxylic acid
• CAS: 1245932-50-6
• 化学式: C₇H₉N₃O₄
• 分子量: 199.166
• InChiKey: IYIYICJFEOXGHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.46
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  94.31
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2-acetoxyethyl azide 、 丙炔酸 在 copper(I) iodide adsorbed on Wyoming montmorillonite 作用下， 反应 18.0h， 生成 3-(2-acetyloxyethyl)triazole-4-carboxylic acid 、 1-(2-acetyloxyethyl)triazole-4-carboxylic acid
  参考文献：
  名称：

  On the reactivity of activated alkynes in copper and solvent-free Huisgen’s reaction

  摘要：

  Terminal alkynes substituted by a carbonyl-type electron-withdrawing group have been found to undergo Huisgen's cycloaddition with azides at room temperature in a solvent-free manner; without a need of either heating or catalysis. Metallic salts, other than the copper ones also efficiently catalyzed the reactions. The yields were good and the products isolated mainly as their 1,4-disubstituted isomer. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.06.013