2-acetyl-2-ethoxycarbonyl-1-[4-(4-nitrophenylazo)phenyl]-3-(4-dimethylaminophenyl)aziridine | 1119750-31-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 2-acetyl-2-ethoxycarbonyl-1-[4-(4-nitrophenylazo)phenyl]-3-(4-dimethylaminophenyl)aziridine
• 英文别名: Ethyl 2-acetyl-3-[4-(dimethylamino)phenyl]-1-[4-[(4-nitrophenyl)diazenyl]phenyl]aziridine-2-carboxylate
• CAS: 1119750-31-0
• 化学式: C₂₇H₂₇N₅O₅
• 分子量: 501.542
• InChiKey: QGUDADANUNQPLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-(4-Dimethylamino-benzyliden)-acetessigsaeureethylester 、 分散橙 3 在 lead(IV) tetraacetate 作用下， 以 二氯甲烷 为溶剂， 反应 0.67h， 以77%的产率得到2-acetyl-2-ethoxycarbonyl-1-[4-(4-nitrophenylazo)phenyl]-3-(4-dimethylaminophenyl)aziridine
  参考文献：
  名称：

  Synthesis and QSAR modeling of 2-acetyl-2-ethoxycarbonyl-1-[4(4′-arylazo)-phenyl]-N,N-dimethylaminophenyl aziridines as potential antibacterial agents

  摘要：

  The present communication deals with the synthesis of a series of 2-acetyl-2-ethoxycarbonyl-1-[4(4'-arylazo)-phenyl]-N,N-dimethylaminophenyl aziridines. 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 acetic acid-toluene (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 azinomycin as reference drug. All the synthesized compounds were found to exhibit profound antimicrobial activity. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.02.016