2,2'-(3,3'-(pentane-1,5-diylbis(oxy))bis(3,1-phenylene))bis(methan-1-yl-1-ylidene)bis(hydrazinecarbothioamide) | 1401456-64-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,2'-(3,3'-(pentane-1,5-diylbis(oxy))bis(3,1-phenylene))bis(methan-1-yl-1-ylidene)bis(hydrazinecarbothioamide)
• CAS: 1401456-64-1
• 化学式: C₂₁H₂₆N₆O₂S₂
• 分子量: 458.608
• InChiKey: WWBMQDZBOKXUIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.65
• 重原子数：
  31.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  119.28
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,2'-(3,3'-(pentane-1,5-diylbis(oxy))bis(3,1-phenylene))bis(methan-1-yl-1-ylidene)bis(hydrazinecarbothioamide) 、 乙酸酐 反应 10.0h， 以88%的产率得到N,N'-(5,5'-(3,3'-(pentane-1,5-diylbis(oxy))bis(3,1-phenylene))bis(4-acetyl-4,5-dihydro-1,3,4-thiadiazole-5,2-diyl))diacetamide
  参考文献：
  名称：

  New 1,3,4-bisthiadiazolines: Synthesis, characterization and antimicrobial evaluations

  摘要：

  The bisthiadiazolines 4a-4g have been synthesized in good yields from the cyclization reactions of bisthiosemicarbazones 3a-3g with acetic anhydride. The condensation reaction of dibenzaldehydes 2a-2g with thiosemicarbazide in alcoholic medium provided 3a-3g and former were obtained from the O-alkylation of 3-hydroxybenzaldehyde with suitable 1,omega-dibromoalkanes under alkaline conditions in the presence of dry EtOH/DMF. The intermediates 3a-3g and bishetrocyclics 4a-4g were also screened for their in vitro antimicrobial activities against seven bacterial strains (Klubsellia pneumoniae, Pseudomonas aeruginosa, Escherichia coli, Straphylococcus aureus, Bacillius subtilis, Pseudomonas fluorescens and Streptoccus pyrogens) and five fungi strains (Aspergillius Janus, Pencillium glabrum, Fusarium oxysporum, Aspergillus sclerotiorum, Aspergillus niger). The compounds 3f, 3g, 4f & 4g were found to be significantly active against the tested microorganisms. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.06.030
• 作为产物：
  描述：

  间羟基苯甲醛 在 盐酸 、 potassium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 2,2'-(3,3'-(pentane-1,5-diylbis(oxy))bis(3,1-phenylene))bis(methan-1-yl-1-ylidene)bis(hydrazinecarbothioamide)
  参考文献：
  名称：

  New 1,3,4-bisthiadiazolines: Synthesis, characterization and antimicrobial evaluations

  摘要：

  The bisthiadiazolines 4a-4g have been synthesized in good yields from the cyclization reactions of bisthiosemicarbazones 3a-3g with acetic anhydride. The condensation reaction of dibenzaldehydes 2a-2g with thiosemicarbazide in alcoholic medium provided 3a-3g and former were obtained from the O-alkylation of 3-hydroxybenzaldehyde with suitable 1,omega-dibromoalkanes under alkaline conditions in the presence of dry EtOH/DMF. The intermediates 3a-3g and bishetrocyclics 4a-4g were also screened for their in vitro antimicrobial activities against seven bacterial strains (Klubsellia pneumoniae, Pseudomonas aeruginosa, Escherichia coli, Straphylococcus aureus, Bacillius subtilis, Pseudomonas fluorescens and Streptoccus pyrogens) and five fungi strains (Aspergillius Janus, Pencillium glabrum, Fusarium oxysporum, Aspergillus sclerotiorum, Aspergillus niger). The compounds 3f, 3g, 4f & 4g were found to be significantly active against the tested microorganisms. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.06.030

文献信息

• Synthesis, in vitro -antimicrobial investigation, molecular docking, and DFT studies of novel bis-thiazole derivatives
  作者：Zeinab A. Abdallah、Redhab A. J. Alfraiji、Fawzy A. Attaby、Mohamed S. Mohamed Ahmed

  DOI：10.1080/00397911.2024.2387124

  日期：2024.8.17