(Z)-methyl 2-(3-((E)-(3-(2,4-dichlorophenyl)-1H-pyrazol-4-yl)methyleneamino)-5-oxo-2-thioxoimidazolidin-4-ylidene)acetate | 1313912-46-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (Z)-methyl 2-(3-((E)-(3-(2,4-dichlorophenyl)-1H-pyrazol-4-yl)methyleneamino)-5-oxo-2-thioxoimidazolidin-4-ylidene)acetate
• 英文别名: methyl (2Z)-2-[3-[(E)-[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]acetate
• CAS: 1313912-46-7
• 化学式: C₁₆H₁₁Cl₂N₅O₃S
• 分子量: 424.267
• InChiKey: GHWBSJJJDSRUBW-JBPPVVNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-(2,4-dichlorophenyl)-1H-pyrazole-4-carbaldehyde 在 sodium acetate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 9.0h， 生成 (Z)-methyl 2-(3-((E)-(3-(2,4-dichlorophenyl)-1H-pyrazol-4-yl)methyleneamino)-5-oxo-2-thioxoimidazolidin-4-ylidene)acetate
  参考文献：
  名称：

  Synthesis, characterization and antimicrobial studies of some new pyrazole incorporated imidazole derivatives

  摘要：

  In the present study two series of novel imidazole derivatives containing substituted pyrazole moiety (3a-d and 5a-j) were synthesized. The first series were synthesized by the reaction of 3-aryl-1H-pyrazole-4-carbaldehyde thiosemicarbazones (2a-d) with DMAD and the second series by the reaction of 3-aryl-1H-pyrazole-4-carbaldehydes (la-e) with 1,2-diketones (4a,b) in the presence of ammonium acetate. Structures of newly synthesized compounds were characterized by spectral studies. New compounds were screened for antifungal and antibacterial activities. Among the synthesized compounds, compound 3c was found to be potent antimicrobial agent. The acute oral toxicity study for the compound 3c was carried out and the experimental studies revealed that compound 3c is safe up to 3000 mg/kg and no death of animals were recorded. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.05.005