benzaldehyde (E)-N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazone | 1186228-28-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: benzaldehyde (E)-N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazone
• CAS: 1186228-28-3
• 化学式: C₁₆H₁₄N₄O
• 分子量: 278.313
• InChiKey: HBJRDXQFGSAJOR-SFQUDFHCSA-N

物化性质

• 熔点：
  116-117 °C(Solv: ligroine (8032-32-4))
• 沸点：
  434.7±28.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.21
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  54.52
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  benzaldehyde (E)-N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazone 反应 0.5h， 以63%的产率得到5-N-benzoylamino-1-methyl-3-phenyl-1H-1,2,4-triazole
  参考文献：
  名称：

  1,2,4-Oxadiazole Rearrangements Involving an NNC Side-Chain Sequence

  摘要：

  The thermal rearrangement of N-1,2,4-oxadiazol-3-yl-hydrazones into 1,2,4-triazole derivatives is reported. This represents the first example of a three-atom side-chain rearrangement involving an NNC sequence linked at the C(3) of the oxadiazole. The reactions carried out under solvent-free conditions produced good to high yields of the final products.

  DOI：

  10.1021/ol901687n
• 作为产物：
  描述：

  N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazine 、 苯甲醛 在 溶剂黄146 作用下， 反应 1.0h， 以83%的产率得到benzaldehyde (E)-N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazone
  参考文献：
  名称：

  1,2,4-Oxadiazole Rearrangements Involving an NNC Side-Chain Sequence

  摘要：

  The thermal rearrangement of N-1,2,4-oxadiazol-3-yl-hydrazones into 1,2,4-triazole derivatives is reported. This represents the first example of a three-atom side-chain rearrangement involving an NNC sequence linked at the C(3) of the oxadiazole. The reactions carried out under solvent-free conditions produced good to high yields of the final products.

  DOI：

  10.1021/ol901687n