4-trifluoromethylbenzaldehyde (E)-N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazone | 1186228-34-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-trifluoromethylbenzaldehyde (E)-N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazone
• 英文别名: N-methyl-5-phenyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,2,4-oxadiazol-3-amine
• CAS: 1186228-34-1
• 化学式: C₁₇H₁₃F₃N₄O
• 分子量: 346.312
• InChiKey: PEWARCZAJODMSN-SRZZPIQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-trifluoromethylbenzaldehyde (E)-N-methyl-N-(5-phenyl-1,2,4-oxadiazol-3-yl)hydrazone 反应 0.5h， 以99%的产率得到5-N-benzoylamino-1-methyl-3-(4-trifluoromethylphenyl)-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：

  对三氟甲基苯甲醛 、 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85%的产率得到4-trifluoromethylbenzaldehyde (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

文献信息

• 1,2,4-Oxadiazole Rearrangements Involving an NNC Side-Chain Sequence
  作者：Antonio Palumbo Piccionello、Andrea Pace、Silvestre Buscemi、Nicolò Vivona

  DOI：10.1021/ol901687n

  日期：2009.9.3

  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.