1,1-difluoro-1,1a,6,10b-tetrahydro-(1a,6,10b)-dibenzo[a,e]cyclopropa[c]cyclohepten-6-yloxymethyl-5-(4-chlorophenyl)-[1,3,4]-oxadiazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 1,1-difluoro-1,1a,6,10b-tetrahydro-(1a,6,10b)-dibenzo[a,e]cyclopropa[c]cyclohepten-6-yloxymethyl-5-(4-chlorophenyl)-[1,3,4]-oxadiazole
• 英文别名: 2-(4-Chlorophenyl)-5-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)oxymethyl]-1,3,4-oxadiazole；2-(4-chlorophenyl)-5-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)oxymethyl]-1,3,4-oxadiazole
• 化学式: C₂₅H₁₇ClF₂N₂O₂
• 分子量: 450.872
• InChiKey: GEKVCKYIAFRRIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  48.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-二苯并环庚烯酮 在 甲醇 、 sodium tetrahydroborate 、 sodium hydride 作用下， 以 三甘醇二甲醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.25h， 生成 1,1-difluoro-1,1a,6,10b-tetrahydro-(1a,6,10b)-dibenzo[a,e]cyclopropa[c]cyclohepten-6-yloxymethyl-5-(4-chlorophenyl)-[1,3,4]-oxadiazole
  参考文献：
  名称：

  Synthesis and Antimicrobial Properties of 1,3,4-Oxadiazole Analogs Containing Dibenzosuberane Moiety

  摘要：

  A series of ten novel 1,3,4-oxadiazole analogs containing dibenzosuberane moiety were synthesized using linear as well as convergent synthesis approach. All the compounds were characterized by mass spectrometry, infrared (IR), H-1 and C-13 nuclear magnetic resonance (H-1 NMR and C-13 NMR) spectroscopies and elemental analysis. These compounds were evaluated for antibacterial and antifungal activities. Among ten analogs, four compounds, namely, 8a, 8d, 8e and 8j were found to be highly active antibacterial and antifungal agents.

  DOI：

  10.5935/0103-5053.20130275