2-amino-5-octyl-1,3,4-oxadiazole | 72802-88-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-amino-5-octyl-1,3,4-oxadiazole
• 英文别名: 2-Octyl-5-amino-1.3.4-oxadiazol；5-octyl-[1,3,4]oxadiazol-2-ylamine；5-Octyl-1,3,4-oxadiazol-2-amine
• CAS: 72802-88-1
• 化学式: C₁₀H₁₉N₃O
• 分子量: 197.28
• InChiKey: DNMXKDNMPROKMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N'-羟基壬烷脒 在 三乙胺 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 30.0h， 生成 2-amino-5-octyl-1,3,4-oxadiazole
  参考文献：
  名称：

  Competing Ring-Photoisomerization Pathways in the 1,2,4-Oxadiazole Series. An Unprecedented Ring-Degenerate Photoisomerization

  摘要：

  The irradiation of some 5-alkyl-3-amino-1,2,4-oxadiazoles at lambda = 254 nm in methanol in the presence of triethylamine (TEA) gave ring-photoisomerization both into 2-alkyl-5-amino-1,3,4-oxadiazoles and, unprecedently, into the ring-degenerate 3-alkyl-5-amino-1,2,4-oxadiazoles. The competing ring contraction-ring expansion route and the internal cyclization-isomerization mechanism explain the results.

  DOI：

  10.1021/jo025934f

文献信息

• Competing Ring-Photoisomerization Pathways in the 1,2,4-Oxadiazole Series. An Unprecedented Ring-Degenerate Photoisomerization
  作者：Silvestre Buscemi、Andrea Pace、Ivana Pibiri、Nicolò Vivona

  DOI：10.1021/jo025934f

  日期：2002.8.1

  The irradiation of some 5-alkyl-3-amino-1,2,4-oxadiazoles at lambda = 254 nm in methanol in the presence of triethylamine (TEA) gave ring-photoisomerization both into 2-alkyl-5-amino-1,3,4-oxadiazoles and, unprecedently, into the ring-degenerate 3-alkyl-5-amino-1,2,4-oxadiazoles. The competing ring contraction-ring expansion route and the internal cyclization-isomerization mechanism explain the results.