1,4-bis[3-(2-furancarboxamido)propyl]piperazine | 547748-76-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,4-bis[3-(2-furancarboxamido)propyl]piperazine
• 英文别名: N-[3-[4-[3-(furan-2-carbonylamino)propyl]piperazin-1-yl]propyl]furan-2-carboxamide
• CAS: 547748-76-5
• 化学式: C₂₀H₂₈N₄O₄
• mdl: MFCD03400229
• 分子量: 388.467
• InChiKey: DQQAJUPAUXEZGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  91
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,4-bis[3-(2-furancarboxamido)propyl]piperazine 、 zinc(II) chloride 以 甲醇 为溶剂， 生成 C₂₀H₂₈N₄O₄Zn⁽²⁺⁾*2Cl^(1-)*0.5H₂O
  参考文献：
  名称：

  Synthesis, characterization, and antibacterial activity of the ligands including thiophene/furan ring systems and their Cu(II), Zn(II) complexes

  摘要：

  Carboxamide complexes having general formula as [ML]Cl-2 center dot nH(2)O (where M = Cu(II), Zn(II); n = 0, 1/2) were synthesized using heterocyclic carboxamide ligands: 1,4-bis[3-(2-thiophenecarboxamido)propyl]piperazine (L-1) and 1,4-bis[3-(2-furancarboxamido) propyl]piperazine (L-2). Their structures were characterized with elemental analysis, molar conductivity, magnetic susceptibility, and spectral methods (H-1-NMR, C-13-NMR, FT-IR, LC-MS). TGA and DTA curves were also performed. The structure-activity relationship for the ligands was investigated using PM3 semi-empirical method. The antibacterial activities of the carboxamides and their complexes were investigated against bacteria; Staphylococcus aureus ATCC 25923, Escherichia coli ATCC 11230, Bacillus magaterium RSKK 5117, B. cereus RSKK 863, Salmonella enteritidis ATCC 13076, B. subtilis RSKK 244 using microdilution method.

  DOI：

  10.1007/s00044-011-9878-8
• 作为产物：
  描述：

  呋喃甲酰氯 、 1,4-双(3-氨基丙基)哌嗪 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以73%的产率得到1,4-bis[3-(2-furancarboxamido)propyl]piperazine
  参考文献：
  名称：

  Synthesis, characterization, and antibacterial activity of the ligands including thiophene/furan ring systems and their Cu(II), Zn(II) complexes

  摘要：

  Carboxamide complexes having general formula as [ML]Cl-2 center dot nH(2)O (where M = Cu(II), Zn(II); n = 0, 1/2) were synthesized using heterocyclic carboxamide ligands: 1,4-bis[3-(2-thiophenecarboxamido)propyl]piperazine (L-1) and 1,4-bis[3-(2-furancarboxamido) propyl]piperazine (L-2). Their structures were characterized with elemental analysis, molar conductivity, magnetic susceptibility, and spectral methods (H-1-NMR, C-13-NMR, FT-IR, LC-MS). TGA and DTA curves were also performed. The structure-activity relationship for the ligands was investigated using PM3 semi-empirical method. The antibacterial activities of the carboxamides and their complexes were investigated against bacteria; Staphylococcus aureus ATCC 25923, Escherichia coli ATCC 11230, Bacillus magaterium RSKK 5117, B. cereus RSKK 863, Salmonella enteritidis ATCC 13076, B. subtilis RSKK 244 using microdilution method.

  DOI：

  10.1007/s00044-011-9878-8