4-(4-Fluoro-phenyl)-2-methylsulfanyl-5-phenyl-1H-imidazole | 873427-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-Fluoro-phenyl)-2-methylsulfanyl-5-phenyl-1H-imidazole
• 英文别名: 5-(4-fluorophenyl)-2-methylsulfanyl-4-phenyl-1H-imidazole
• CAS: 873427-28-2
• 化学式: C₁₆H₁₃FN₂S
• 分子量: 284.357
• InChiKey: BMDZMRRAEVDZPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 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：

  4-(4-Fluoro-phenyl)-2-methylsulfanyl-5-phenyl-1H-imidazole 在 氯磺酸 、 ammonium hydroxide 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 4-[5-(4-Fluoro-phenyl)-2-methylsulfanyl-3H-imidazol-4-yl]-benzenesulfonamide
  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 4-(4-Fluoro-phenyl)-2-methylsulfanyl-5-phenyl-1H-imidazole
  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

文献信息

• SHARPE, T. R.;CHERKOFSKY, S. C.;HEWES, W. E.;SMITH, D. H.;GREGORY, W. A.;+, J. MED. CHEM., 1985, 28, N 9, 1188-1194
  作者：SHARPE, T. R.、CHERKOFSKY, S. C.、HEWES, W. E.、SMITH, D. H.、GREGORY, W. A.、+

  DOI：——

  日期：——