5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-2-propylthio-1,3,4-oxadiazole | 313257-96-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-2-propylthio-1,3,4-oxadiazole
• 英文别名: 2-(4-Chloro-5-ethyl-2-methylpyrazol-3-yl)-5-propylsulfanyl-1,3,4-oxadiazole
• CAS: 313257-96-4
• 化学式: C₁₁H₁₅ClN₄OS
• 分子量: 286.785
• InChiKey: WZPSQONJPSHXAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  82
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-2-propylthio-1,3,4-oxadiazole 在 sodium hydroxide 、 甲酸 、 双氧水 作用下， 以 四氢呋喃 为溶剂， 反应 29.0h， 生成 5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-3-methyl-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：

  4-氯-5-乙基-2-甲基-吡唑-3-甲酰肼 在 氢氧化钾 、 sodium hydroxide 、 四丁基溴化铵 作用下， 以 乙醇 为溶剂， 反应 31.0h， 生成 5-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-2-propylthio-1,3,4-oxadiazole
  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

文献信息

• Synthesis and Fungicidal Activity against <i>Rhizoctonia </i><i>s</i><i>olani</i> of 2-Alkyl (Alkylthio)-5-pyrazolyl-1,3,4-oxadiazoles (Thiadiazoles)
  作者：Hansong Chen、Zhengming Li、Yufeng Han

  DOI：10.1021/jf991065s

  日期：2000.11.1

  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.