1-ethyl-5-(4-methoxyphenyl)-1H-tetrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-ethyl-5-(4-methoxyphenyl)-1H-tetrazole
• 英文别名: 1-ethyl-5-(4-methoxyphenyl)-1H-1,2,3,4-tetrazole；1-ethyl-5-(4-methoxyphenyl)tetrazole
• 化学式: C₁₀H₁₂N₄O
• 分子量: 204.231
• InChiKey: AEUUPZJPKYEJIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙醇 、 5-(4-甲氧基苯基)-1H-四唑 在 三氟甲磺酸 作用下， 反应 12.0h， 以40%的产率得到2-ethyl-5-(4-methoxyphenyl)-2H-tetrazole
  参考文献：
  名称：

  Alkylation of 5-substituted NH-tetrazoles by alcohols in the superacid CF3SO3H

  摘要：

  Reactions of 5-substituted NH-tetrazoles with alcohols in the superacid CF3SO3H have been studied. Both the structure of the tetrazole and the nature of alcohol were found to dramatically influence the selectivity of the reaction and yields of products. Tetrazoles bearing phenyl, electron-donating aryl, or benzyl groups at the 5-position, have been alkylated using various alcohols (including MeOH and EtOH) in CF3SO3H upon heating at 60 degrees C for 0.3-12 h to afford 2-alkyl-2H-tetrazoles in 30-98% yields. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.11.005