N-[4-[4-[3-(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)propyl]piperazin-1-yl]sulfonylphenyl]acetamide | 1258869-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[4-[4-[3-(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)propyl]piperazin-1-yl]sulfonylphenyl]acetamide
• CAS: 1258869-66-7
• 化学式: C₂₂H₃₃N₅O₃S
• 分子量: 447.602
• InChiKey: OBIPFLABHYESIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(4-(哌嗪-1-基磺酰基)苯基)乙酰胺 在 sodium methylate 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 10.0h， 生成 N-[4-[4-[3-(5,7-dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)propyl]piperazin-1-yl]sulfonylphenyl]acetamide
  参考文献：
  名称：

  Synthesis and biological activity of novel 1H-1,4-diazepines containing benzene sulfonyl piperazine moiety

  摘要：

  The synthesis of biologically active 1H-1,4-diazepines 6a-e in good yield, from the heterocyclization reaction of [N (4)-(4-acetylamino) benzene sulfonyl) piperazinyl-N (1)-propyl]-1,3-dialkyl/aryl propane-1,3-dione 5a-e and ethylenediamine (EDA) in the presence of silica sulphuric acid (SSA) is described. The novel beta-diketones/beta-ketoesters 5a-e were synthesized by the condensation reaction of [N (4)-(4-acetylamino) benzene sulfonyl) piperazinyl-N (1)-1-bromopropane with various beta-diketones/beta-ketoesters 4a-e. All structures of the newly synthesized compounds were elucidated by elemental analysis and spectral studies. The compounds 6a-e have been screened for antimicrobial, antifungal and anthelmintic activity.

  DOI：

  10.1007/s00044-010-9430-2

文献信息

• Synthesis and biological activity of novel 1H-1,4-diazepines containing benzene sulfonyl piperazine moiety
  作者：Shalini Saingar、Rajesh Kumar、Yogesh Chandra Joshi

  DOI：10.1007/s00044-010-9430-2

  日期：2011.9

  The synthesis of biologically active 1H-1,4-diazepines 6a-e in good yield, from the heterocyclization reaction of [N (4)-(4-acetylamino) benzene sulfonyl) piperazinyl-N (1)-propyl]-1,3-dialkyl/aryl propane-1,3-dione 5a-e and ethylenediamine (EDA) in the presence of silica sulphuric acid (SSA) is described. The novel beta-diketones/beta-ketoesters 5a-e were synthesized by the condensation reaction of [N (4)-(4-acetylamino) benzene sulfonyl) piperazinyl-N (1)-1-bromopropane with various beta-diketones/beta-ketoesters 4a-e. All structures of the newly synthesized compounds were elucidated by elemental analysis and spectral studies. The compounds 6a-e have been screened for antimicrobial, antifungal and anthelmintic activity.