2-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-5-(1-ethoxycarbonylethylthio)-1,3,4-oxadiazole

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-5-(1-ethoxycarbonylethylthio)-1,3,4-oxadiazole
• 英文别名: Ethyl 2-[[5-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
• 化学式: C₁₃H₁₇ClN₄O₃S
• 分子量: 344.822
• InChiKey: BGQIAFWNAHBRNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 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 2-(4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-yl)-5-(1-ethoxycarbonylethylthio)-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.