| 1338824-83-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 1338824-83-1
• 化学式: C₁₅H₁₈N₄O
• 分子量: 270.334
• InChiKey: PZNLIUNGRHMXBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.94
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  59.4
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 盐酸羟胺 、 sodium acetate 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 3-(4-anisyl)-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-aldoxime
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of some new 4-substituted-3-aryl-1-(2,6-dimethylpyrimidin-4-yl)pyrazoles

  摘要：

  AbstractSynthesis of a series of new 4‐substituted‐3‐aryl‐1‐(2,6‐dimethylpyrimidin‐4‐yl)pyrazoles (2a, 2b, 2c, 2d, 2e, 2f, 2g, 3a, 3b, 3c, 3d, 3e, 3f, 3g, and 4a, 4b, 4c, 4d, 4e, 4f, 4g) is described. All the synthesized compounds were evaluated in vitro for their antibacterial activity against two gram‐positive and two gram‐negative bacteria, namely, Bacillus subtilis (MTCC 8509), Bacillus stearothermophilus (MTCC 8508), Escherichia coli (MTCC 51), and Pseudomonas putida (MTCC 121), and their activity was compared with two commercial antibiotics, streptomycin and chloramphenicol. Two compounds, namely, 3‐(4‐anisyl)‐1‐(2,6‐dimethylpyrimidin‐4‐yl)pyrazole‐4‐carboxaldehyde (2b) and 3‐(2‐thienyl)‐1‐(2,6‐dimethyl pyrimidin‐4‐yl)pyrazole‐4‐carboxaldehyde (2g) were found to be equipotent to streptomycin and chloramphenicol against gram‐negative bacteria, E. coli having minimum inhibitory concentration (MIC) value = 4 μg/mL. Compounds 4b and 4d also displayed good activity against E. coli with MIC = 8 μg/mL. J. Heterocyclic Chem., (2011).

  DOI：

  10.1002/jhet.701
• 作为产物：
  描述：

  4-肼-2,6-二甲基嘧啶 、 对甲氧基苯乙酮 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of some new 4-substituted-3-aryl-1-(2,6-dimethylpyrimidin-4-yl)pyrazoles

  摘要：

  AbstractSynthesis of a series of new 4‐substituted‐3‐aryl‐1‐(2,6‐dimethylpyrimidin‐4‐yl)pyrazoles (2a, 2b, 2c, 2d, 2e, 2f, 2g, 3a, 3b, 3c, 3d, 3e, 3f, 3g, and 4a, 4b, 4c, 4d, 4e, 4f, 4g) is described. All the synthesized compounds were evaluated in vitro for their antibacterial activity against two gram‐positive and two gram‐negative bacteria, namely, Bacillus subtilis (MTCC 8509), Bacillus stearothermophilus (MTCC 8508), Escherichia coli (MTCC 51), and Pseudomonas putida (MTCC 121), and their activity was compared with two commercial antibiotics, streptomycin and chloramphenicol. Two compounds, namely, 3‐(4‐anisyl)‐1‐(2,6‐dimethylpyrimidin‐4‐yl)pyrazole‐4‐carboxaldehyde (2b) and 3‐(2‐thienyl)‐1‐(2,6‐dimethyl pyrimidin‐4‐yl)pyrazole‐4‐carboxaldehyde (2g) were found to be equipotent to streptomycin and chloramphenicol against gram‐negative bacteria, E. coli having minimum inhibitory concentration (MIC) value = 4 μg/mL. Compounds 4b and 4d also displayed good activity against E. coli with MIC = 8 μg/mL. J. Heterocyclic Chem., (2011).

  DOI：

  10.1002/jhet.701