potassium 2-{[3-(6-nitro-1,3-benzo[d]thiazol-2-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}hydrazine carbodithioate | 1612240-65-9

• 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: potassium 2-{[3-(6-nitro-1,3-benzo[d]thiazol-2-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}hydrazine carbodithioate
• CAS: 1612240-65-9
• 化学式: C₁₇H₁₁N₆O₃S₃*K
• 分子量: 482.609
• InChiKey: NHBFSWJYJPYARU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.67
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  114.98
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  potassium 2-{[3-(6-nitro-1,3-benzo[d]thiazol-2-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}hydrazine carbodithioate 、 对甲氧基苯甲酰氯 以 水 为溶剂， 反应 2.0h， 以69%的产率得到2-(4-methoxyphenyl)-3-((3-(6-nitrobenzo[d]thiazol-2-yl)-4-oxo-3,4-dihydroquinazolin-2-yl)methyl)-1,3,4-thiadiazol-3-ium-5-thiolate
  参考文献：
  名称：

  Synthesis and Antimicrobial Activity of 2-Substituted-3-((3-(6-Nitrobenzo[D]thiazol-2-yl)-4-oxo-3,4-Dihydroquinazolin-2-yl)Methyl)-1,3,4-thiadiazol-3-ium-5-thiolate

  摘要：

  A new series of 2-substituted-3-((3-(6-nitrobenzo[d]thiazol-2-yl)-4-oxo-3,4-dihydroquinazolin-2-yl)methyl)-1,3,4-thiadiazol-3-ium-5-thiolate 6(a-j) was synthesized starting from anthranilic acid 1. The structures of the newly synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR, mass spectra, and elemental analysis. The final compounds were tested for their antimicrobial activity against several microbes.

  DOI：

  10.1080/10426507.2013.829839
• 作为产物：
  描述：

  2-chloroacetamidobenzoic acid 在 potassium carbonate 、 一水合肼 、 potassium hydroxide 作用下， 以 乙醇 、 苯 为溶剂， 反应 13.0h， 生成 potassium 2-{[3-(6-nitro-1,3-benzo[d]thiazol-2-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}hydrazine carbodithioate
  参考文献：
  名称：

  Synthesis and Antimicrobial Activity of 2-Substituted-3-((3-(6-Nitrobenzo[D]thiazol-2-yl)-4-oxo-3,4-Dihydroquinazolin-2-yl)Methyl)-1,3,4-thiadiazol-3-ium-5-thiolate

  摘要：

  A new series of 2-substituted-3-((3-(6-nitrobenzo[d]thiazol-2-yl)-4-oxo-3,4-dihydroquinazolin-2-yl)methyl)-1,3,4-thiadiazol-3-ium-5-thiolate 6(a-j) was synthesized starting from anthranilic acid 1. The structures of the newly synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR, mass spectra, and elemental analysis. The final compounds were tested for their antimicrobial activity against several microbes.

  DOI：

  10.1080/10426507.2013.829839