acetic acid 1-(2-methyltetrazol-5-yl)ethenyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: acetic acid 1-(2-methyltetrazol-5-yl)ethenyl ester
• 英文别名: Acetic acid, 1-(2-methyltetrazol-5-yl)ethenyl ester；1-(2-methyltetrazol-5-yl)ethenyl acetate
• 化学式: C₆H₈N₄O₂
• 分子量: 168.155
• InChiKey: FCELUQZAHBZZQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  69.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-methyl-5-(2-bromo-1-acetoxyethyl)tetrazole 在 三乙胺 、 对苯二酚 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以28%的产率得到acetic acid 1-(2-methyltetrazol-5-yl)ethenyl ester
  参考文献：
  名称：

  Bratilov, S. B.; Kovaleva, S. M.; Shchetinina, T. V., Russian Journal of Organic Chemistry, 1992, vol. 28, # 11.2, p. 1893 - 1896

  摘要：

  DOI：

文献信息

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