5-methyl-3-(4-(2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)phenyl)-1,3,4-oxadiazol-2(3H)-one | 1130307-30-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 5-methyl-3-(4-(2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)phenyl)-1,3,4-oxadiazol-2(3H)-one
• CAS: 1130307-30-0
• 化学式: C₂₄H₁₉N₃O₂S
• 分子量: 413.5
• InChiKey: FPYHSPANXZSBEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  30.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  60.39
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  5-methyl-3-[4-(3-phenylacryloyl)phenyl]-3H-2-oxo-Δ⁴-1,3,4-oxadiazole 、 2-氨基苯硫醇 在 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.15h， 以86%的产率得到5-methyl-3-(4-(2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)phenyl)-1,3,4-oxadiazol-2(3H)-one
  参考文献：
  名称：

  Synthesis and Pharmacological Evaluation of 1,5-Benzothiazepine Derivatives

  摘要：

  A simple method for the synthesis of 1,5-benzothiazepines integrated with 5-methyl-2-oxo-3-phenyl-Delta(4)-1,3,4-oxadiazoles in 75-95% yield is devised. A comparison of microwave-accelerated reaction with conventional heating is also illustrated. Structures of all the newly synthesised compounds were characterised by physical, analytical and spectral (UV, IR, H-1 NMR, and MS) data. Title compounds were screened for their antimicrobial, anticonvulsant, anti-inflammatory, and diuretic activities.

  DOI：

  10.1080/10426500701724555