2-thiophenecarboxaldehyde (E)-N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazone | 1186228-35-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-thiophenecarboxaldehyde (E)-N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazone
• 英文别名: N-methyl-5-phenyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,2,4-oxadiazol-3-amine
• CAS: 1186228-35-2
• 化学式: C₁₄H₁₂N₄OS
• 分子量: 284.341
• InChiKey: RCCBHZBBDONMIX-XNTDXEJSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  82.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-thiophenecarboxaldehyde (E)-N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazone 反应 0.5h， 以81%的产率得到5-N-benzoylamino-1-methyl-3-(thiophen-2-yl)-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：

  2-噻吩甲醛 、 N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazine 在 溶剂黄146 作用下， 反应 1.0h， 以76%的产率得到2-thiophenecarboxaldehyde (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