3-(2,6-dichlorophenyl)-4-ethyl-1-methyl-1,2,4-triazolin-5-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2,6-dichlorophenyl)-4-ethyl-1-methyl-1,2,4-triazolin-5-one
• 英文别名: 5-(2,6-Dichlorophenyl)-4-ethyl-2-methyl-1,2,4-triazol-3-one
• 化学式: C₁₁H₁₁Cl₂N₃O
• 分子量: 272.134
• InChiKey: RJRBAWYUAVSFGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  35.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-(2,6-dichlorophenyl)-2-methyl-4H-1,2,4-triazol-3-one 、 溴乙烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以86%的产率得到3-(2,6-dichlorophenyl)-4-ethyl-1-methyl-1,2,4-triazolin-5-one
  参考文献：
  名称：

  Study on the Alkylation and Sulfonylation of 3-Aryl-1-methyl-1,2,4-triazolin-5-ones

  摘要：

  The alkylation and sulfonylation of 3-aryl-1-methyl-1,2,4-triazolin-5-ones (1) were studied with various alkyl halides and sulfonyl chlorides. The alkylation of 1 with methyl iodide and ethyl bromide afforded N-alkylated products, however with methyl 2-bromopropionate afforded O-alkylated products predominantly. The sulfonylation by methanesulfonyl chloride afforded a mixture of N-sulfonylated and O-sulfonylated products, while the sulfonylation by p-toluenesulfonyl chloride afforded mainly O-sulfonylated products.

  DOI：

  10.1080/00397919408011319

文献信息

• Kim Hyoung Rae, Song Jong Hwan, Ryu Eung K., Synth. Commun, 24 (1994) N 21, S 3065-3071
  作者：Kim Hyoung Rae, Song Jong Hwan, Ryu Eung K.

  DOI：——

  日期：——