2-ethylthio-4(5)-(4-fluorophenyl)-5(4)-phenylimidazole | 873427-27-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-ethylthio-4(5)-(4-fluorophenyl)-5(4)-phenylimidazole
• 英文别名: 2-ethylsulfanyl-5-(4-fluorophenyl)-4-phenyl-1H-imidazole
• CAS: 873427-27-1
• 化学式: C₁₇H₁₅FN₂S
• 分子量: 298.384
• InChiKey: RALYJPDFRDPKJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-ethylthio-4(5)-(4-fluorophenyl)-5(4)-phenylimidazole 在 氯磺酸 作用下， 生成 4-[2-Ethylsulfanyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl]-benzenesulfonyl chloride
  参考文献：
  名称：

  Syntheses of 2-Alkylthio-(4,5-Diaryl)imidazoles

  摘要：

  A series of 2-alkylthio-4,5-diarylimidazoles were synthesized in three steps. The reaction of ammonium thiocyanate with benzoylbenzoins 4 gave 4,5-diarylimidazole-2-thiones 5. Alkylation of compound 5 with alkyl iodide yielded 2-alkylthio-4,5-diarylimidazoles 6. Chlorosulfonation of compound 6 followed by ammonia gave the desired compounds 4-[2-alkylthio-4(5)-(4-substituted phenyl)imidazole-5(4)-yl]benzensulfonamides 7.

  DOI：

  10.1080/104265090884265
• 作为产物：
  描述：

  Benzoic acid 1-(4-fluoro-phenyl)-2-oxo-2-phenyl-ethyl ester 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 29.0h， 生成 2-ethylthio-4(5)-(4-fluorophenyl)-5(4)-phenylimidazole
  参考文献：
  名称：

  Syntheses of 2-Alkylthio-(4,5-Diaryl)imidazoles

  摘要：

  A series of 2-alkylthio-4,5-diarylimidazoles were synthesized in three steps. The reaction of ammonium thiocyanate with benzoylbenzoins 4 gave 4,5-diarylimidazole-2-thiones 5. Alkylation of compound 5 with alkyl iodide yielded 2-alkylthio-4,5-diarylimidazoles 6. Chlorosulfonation of compound 6 followed by ammonia gave the desired compounds 4-[2-alkylthio-4(5)-(4-substituted phenyl)imidazole-5(4)-yl]benzensulfonamides 7.

  DOI：

  10.1080/104265090884265