5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-oxadiazole-2-thione | 254895-60-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-oxadiazole-2-thione
• 英文别名: 5-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
• CAS: 254895-60-8
• 化学式: C₈H₉ClN₄OS
• 分子量: 244.705
• InChiKey: XZNLRXLASWYCQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  83.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-oxadiazole-2-thione 在 sodium hydroxide 、 甲酸 、 四丁基溴化铵 、 双氧水 作用下， 反应 48.0h， 生成 5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-oxadiazole-2-one
  参考文献：
  名称：

  Synthesis and Fungicidal Activity against Rhizoctonia solani of 2-Alkyl (Alkylthio)-5-pyrazolyl-1,3,4-oxadiazoles (Thiadiazoles)

  摘要：

  Some series of 2-alkyl (alkythio)-5-((4-chloro)-3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-oxadiazoles (thiadiazoles) were prepared as potential fungicides. Their fungicidal activity was evaluated against rice sheath blight, which is a major disease of rice in China. Structure-activity relationships for the screened compounds were evaluated and discussed. It was found that 5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-thiadiazole-2-thione has the higher fungicidal activity.

  DOI：

  10.1021/jf991065s
• 作为产物：
  描述：

  二硫化碳 、 4-氯-5-乙基-2-甲基-吡唑-3-甲酰肼 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 7.0h， 以70%的产率得到5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-oxadiazole-2-thione
  参考文献：
  名称：

  Synthesis and Fungicidal Activity against Rhizoctonia solani of 2-Alkyl (Alkylthio)-5-pyrazolyl-1,3,4-oxadiazoles (Thiadiazoles)

  摘要：

  Some series of 2-alkyl (alkythio)-5-((4-chloro)-3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-oxadiazoles (thiadiazoles) were prepared as potential fungicides. Their fungicidal activity was evaluated against rice sheath blight, which is a major disease of rice in China. Structure-activity relationships for the screened compounds were evaluated and discussed. It was found that 5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-thiadiazole-2-thione has the higher fungicidal activity.

  DOI：

  10.1021/jf991065s