5-(3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-oxadiazole-2-thione | 254895-61-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-oxadiazole-2-thione
• 英文别名: 5-(5-ethyl-2-methylpyrazol-3-yl)-3H-1,3,4-oxadiazole-2-thione
• CAS: 254895-61-9
• 化学式: C₈H₁₀N₄OS
• 分子量: 210.26
• InChiKey: UGMGEWLQRKQSAH-UHFFFAOYSA-N

物化性质

• 沸点：
  320.2±44.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 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-(3-ethyl-1-methyl-1H-pyrazole-5-yl)-1,3,4-oxadiazole-2-thione 、 碘甲烷 在 sodium hydroxide 、 四丁基溴化铵 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以77%的产率得到2-(3-ethyl-1-methyl-1H-pyrazole-5-yl)-5-methylthio-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
• 作为产物：
  描述：

  二硫化碳 、 3-ethyl-1-methyl-1H-pyrazole-5-carbohydrazide 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 7.0h， 以76%的产率得到5-(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

文献信息

• Synthesis and antiviral activity against tobacco mosaic virus and 3D-QSAR of α-substituted-1,2,3-thiadiazoleacetamides
  作者：Wei-Guang Zhao、Jian-Guo Wang、Zheng-Ming Li、Zhao Yang

  DOI：10.1016/j.bmcl.2006.05.043

  日期：2006.12

  A series of alpha-substituted-1,2,3-thiadiazoleacetamides were prepared and tested in vitro against tobacco mosaic virus. The preliminary bioassays indicated that some of the new compounds are good as compared to the commercial pesticide Virus A at 500 mg/L, and the activity was influenced by the nature of the substituents. 3D-QSAR models were established based on the antiviral activity of the compounds. It has also been found that some of the new compounds also exhibit significant anti-HBV activity in human hepatoblastoma-derived liver Hep-G2 cells. (c) 2006 Published by Elsevier Ltd.