3-(2-chlorophenyl)-5-methanesulfonyloxy-1-methyl-1,2,4-triazole

• 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-chlorophenyl)-5-methanesulfonyloxy-1-methyl-1,2,4-triazole
• 英文别名: [5-(2-Chlorophenyl)-2-methyl-1,2,4-triazol-3-yl] methanesulfonate
• 化学式: C₁₀H₁₀ClN₃O₃S
• 分子量: 287.727
• InChiKey: NUXPLPHJENCRHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  82.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-(2-Chloro-phenyl)-2-methyl-2,4-dihydro-[1,2,4]triazol-3-one 、 甲基磺酰氯 以36%的产率得到
  参考文献：
  名称：

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

  摘要：

  DOI：

文献信息

• Study on the Alkylation and Sulfonylation of 3-Aryl-1-methyl-1,2,4-triazolin-5-ones
  作者：Hyoung Rae Kim、Jong Hwan Song、Eung K. Ryu

  DOI：10.1080/00397919408011319

  日期：1994.11

  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.