| 1398415-04-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1398415-04-7
• 化学式: C₁₁H₁₂ClN₃O₂
• 分子量: 253.688
• InChiKey: VTHBNMOADKCGCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.23
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  74.38
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 potassium hydroxide 、 四丁基溴化铵 、 对甲苯磺酰氯 作用下， 以 水 、 乙醚 为溶剂， 反应 6.5h， 以67%的产率得到1-[3-methyl-2-(2-chlorophenyldiazenyl)-2H-aziren-2-yl]ethanone
  参考文献：
  名称：

  Synthesis and QSAR modeling 1-[3-methyl-2-(aryldiazenyl)-2H-aziren-2-yl]ethanones as potential antibacterial agents

  摘要：

  The present communication deals with the synthesis of a series of 1-[3-methyl-2-(aryldiazenyl)-2H-aziren-2-yl]ethanones. The compounds were synthesized in excellent yields (70-80 %), and the structures were established on the basis of consistent IR, H-1 NMR, and elemental analysis data. The purity has been ascertained by chromatographic resolution using hexane-ethyl acetate (6:4 v/v) as binary eluent. All the compounds have been tested for their antimicrobial activity against a representative panel of bacteria i.e., Bacillus subtilis, Escherichia coli, Pseudomonas diminuta, and Staphylococcus aureus using Chloramphenicol as reference drug. All the synthesized compounds were found to exhibit profound antimicrobial activity.

  DOI：

  10.1007/s00044-012-0242-4
• 作为产物：
  描述：

  pentane-2,3,4-trione 3-[(2-chloro-phenyl)-hydrazone] 在 盐酸羟胺 、 sodium acetate 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and QSAR modeling 1-[3-methyl-2-(aryldiazenyl)-2H-aziren-2-yl]ethanones as potential antibacterial agents

  摘要：

  The present communication deals with the synthesis of a series of 1-[3-methyl-2-(aryldiazenyl)-2H-aziren-2-yl]ethanones. The compounds were synthesized in excellent yields (70-80 %), and the structures were established on the basis of consistent IR, H-1 NMR, and elemental analysis data. The purity has been ascertained by chromatographic resolution using hexane-ethyl acetate (6:4 v/v) as binary eluent. All the compounds have been tested for their antimicrobial activity against a representative panel of bacteria i.e., Bacillus subtilis, Escherichia coli, Pseudomonas diminuta, and Staphylococcus aureus using Chloramphenicol as reference drug. All the synthesized compounds were found to exhibit profound antimicrobial activity.

  DOI：

  10.1007/s00044-012-0242-4