3-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]oxadiazol-3-ium-5-olate | 1130306-92-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]oxadiazol-3-ium-5-olate
• CAS: 1130306-92-1
• 化学式: C₁₇H₁₁BrN₂O₃
• 分子量: 371.19
• InChiKey: AGWPVIKEGLAWCJ-XCVCLJGOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]oxadiazol-3-ium-5-olate 、 乙酸酐 在 溴 作用下， 反应 0.07h， 以84%的产率得到
  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
• 作为产物：
  描述：

  3-[3-acetyl]phenyl sydnone 、 对溴苯甲醛 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.12h， 以86%的产率得到3-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]oxadiazol-3-ium-5-olate
  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

文献信息

• Synthesis and Pharmacological Evaluation of 1,5-Benzothiazepine Derivatives
  作者：Ravindra R. Kamble、Belgur S. Sudha

  DOI：10.1080/10426500701724555

  日期：2008.6.9

  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.