2-(2-((6-iodo-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)-N-phenylhydrazine-1-carbothioamide | 180995-82-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(2-((6-iodo-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)-N-phenylhydrazine-1-carbothioamide
• CAS: 180995-82-8
• 化学式: C₁₈H₁₆IN₅O₂S₂
• 分子量: 525.394
• InChiKey: IFVCPVQABBSBPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.65
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  88.05
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-(2-((6-iodo-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)-N-phenylhydrazine-1-carbothioamide 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以73%的产率得到6-iodo-3-methyl-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]quinazolin-4-one
  参考文献：
  名称：

  Synthesis and Insecticidal Activity of Some New 3‐[4(3 H )‐Quinazolinone‐2‐(yl)thiomethyl]‐1,2,4‐ triazole‐5‐thiols

  摘要：

  A series of 14 new 3-[4(3H)-quinazolinone-2-yl)thiomethyl]1,2,4-triazoles were prepared and characterized by elemental analyses, IR, [H-1] NMR and mass spectral data. Four of the compounds showed insecticidal activity equivalent to that of malathion against the adult stage of the blow fly (Chrysomyia albiceps). However, their activity against the larval stages of this insect species was considerably weaker.

  DOI：

  10.1002/(sici)1096-9063(199609)48:1<31::aid-ps430>3.0.co;2-#
• 作为产物：
  描述：

  2-thio-3-methyl-6-iodo-4(3H)-quinazolinone 在 potassium carbonate 、 一水合肼 作用下， 以 1,4-二氧六环 、 乙醇 、 丙酮 为溶剂， 反应 31.0h， 生成 2-(2-((6-iodo-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetyl)-N-phenylhydrazine-1-carbothioamide
  参考文献：
  名称：

  Synthesis and Insecticidal Activity of Some New 3‐[4(3 H )‐Quinazolinone‐2‐(yl)thiomethyl]‐1,2,4‐ triazole‐5‐thiols

  摘要：

  A series of 14 new 3-[4(3H)-quinazolinone-2-yl)thiomethyl]1,2,4-triazoles were prepared and characterized by elemental analyses, IR, [H-1] NMR and mass spectral data. Four of the compounds showed insecticidal activity equivalent to that of malathion against the adult stage of the blow fly (Chrysomyia albiceps). However, their activity against the larval stages of this insect species was considerably weaker.

  DOI：

  10.1002/(sici)1096-9063(199609)48:1<31::aid-ps430>3.0.co;2-#