2-benzoylamino-5-(4-bromophenyl)-1,3,4-oxadiazole | 126631-01-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-benzoylamino-5-(4-bromophenyl)-1,3,4-oxadiazole
• 英文别名: 2-Benzoylamino-5-(4-brom-phenyl)-(1,3,4)-oxadiazol；2-Benzamido-5-p-bromphenyl-1,3,4-oxadiazol；N-[5-(4-bromo-phenyl)-[1,3,4]oxadiazol-2-yl]-benzamide；N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
• CAS: 126631-01-4
• 化学式: C₁₅H₁₀BrN₃O₂
• 分子量: 344.167
• InChiKey: WIJURSRKXNYVKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-benzoylamino-5-(4-bromophenyl)-1,3,4-oxadiazole 在 三乙胺 、 三氟化硼乙醚 作用下， 以 甲苯 为溶剂， 反应 24.33h， 以78%的产率得到1,1-difluoro-6-(4-bromophenyl)-3-phenyl-1H-1λ⁴,8λ⁴-[1,3,4]oxadiazolo[3,2-c][1,3,5,2]oxadiazaborinine
  参考文献：
  名称：

  Synthesis, thermal, solution and solid-state emission properties of 1,1-difluoro-3,6-diaryl-1H-1λ4,8λ4-[1,3,4]oxadiazolo[3,2-c][1,3,5,2]oxadiazaborinines

  摘要：

  for 24 h, and the structural characterization of compounds 6 was performed by multinuclear NMR, IR, SC-XRD, elemental analyses, and HRMS techniques. The TGA experiments showed that compounds 6 presented good thermal stability up to approximately 200 °C. The optical and electrochemical properties of derivatives by UV–Vis, fluorescence emission (solution and solid state), TD-DFT calculations, and redox

  DOI：

  10.1016/j.dyepig.2022.110568
• 作为产物：
  描述：

  2-(4-bromobenzylidene)hydrazinecarboxamide 在 吡啶 、 溴 、 sodium acetate 、 溶剂黄146 作用下， 反应 20.0h， 生成 2-benzoylamino-5-(4-bromophenyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Synthesis, thermal, solution and solid-state emission properties of 1,1-difluoro-3,6-diaryl-1H-1λ4,8λ4-[1,3,4]oxadiazolo[3,2-c][1,3,5,2]oxadiazaborinines

  摘要：

  for 24 h, and the structural characterization of compounds 6 was performed by multinuclear NMR, IR, SC-XRD, elemental analyses, and HRMS techniques. The TGA experiments showed that compounds 6 presented good thermal stability up to approximately 200 °C. The optical and electrochemical properties of derivatives by UV–Vis, fluorescence emission (solution and solid state), TD-DFT calculations, and redox

  DOI：

  10.1016/j.dyepig.2022.110568

文献信息

• Alekseeva, V. Ya.; Vergizov, S. N.; Dymshits, V. A., Journal of Organic Chemistry USSR (English Translation), 1989, vol. 25, # 10.2, p. 2002 - 2007
  作者：Alekseeva, V. Ya.、Vergizov, S. N.、Dymshits, V. A.、Viktorovskii, I. V.、V'yunov, K. A.

  DOI：——

  日期：——
• ALEKSEEVA, V. YA.;VERGIZOV, S. N.;DYMSHITS, V. A.;VIKTOROVSKIJ, I. V.;VYU+, ZH. ORGAN. XIMII, 25,(1989) N0, S. 2216-2222
  作者：ALEKSEEVA, V. YA.、VERGIZOV, S. N.、DYMSHITS, V. A.、VIKTOROVSKIJ, I. V.、VYU+

  DOI：——

  日期：——
• Synthesis, thermal, solution and solid-state emission properties of 1,1-difluoro-3,6-diaryl-1H-1λ4,8λ4-[1,3,4]oxadiazolo[3,2-c][1,3,5,2]oxadiazaborinines
  作者：Carlos C. Diniz、Yuri G. Kappenberg、Jean C.B. Vieira、Bianca Dozza、Marcos A.P. Martins、Nilo Zanatta、Clarissa P. Frizzo、Bernardo A. Iglesias、Helio G. Bonacorso

  DOI：10.1016/j.dyepig.2022.110568

  日期：2022.10

  for 24 h, and the structural characterization of compounds 6 was performed by multinuclear NMR, IR, SC-XRD, elemental analyses, and HRMS techniques. The TGA experiments showed that compounds 6 presented good thermal stability up to approximately 200 °C. The optical and electrochemical properties of derivatives by UV–Vis, fluorescence emission (solution and solid state), TD-DFT calculations, and redox