1-phenylamino-2-phenyl-4-p-chlorophenylimidazole | 663933-19-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenylamino-2-phenyl-4-p-chlorophenylimidazole
• 英文别名: 1H-Imidazol-1-amine, 4-(4-chlorophenyl)-N,2-diphenyl-；4-(4-chlorophenyl)-N,2-diphenylimidazol-1-amine
• CAS: 663933-19-5
• 化学式: C₂₁H₁₆ClN₃
• 分子量: 345.831
• InChiKey: GHWWVELSMWBRRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (Z)-N′-phenylbenzohydrazonamide 、 2'-溴-4-氯苯乙酮 以 甲苯 为溶剂， 反应 12.0h， 以52%的产率得到5-(4-Chloro-phenyl)-1,3-diphenyl-1,6-dihydro-[1,2,4]triazine
  参考文献：
  名称：

  摘要：

  The condensation of amidrazones with alpha-bromoketones through ring closure affords two isomeric products. The minor product was subjected to X-ray diffractometric analysis and turned-out to be a substituted imidazole. The title compound crystallizes in space group P2(1)/c, with a = 11.838(2); b = 13.249(1); c = 11.226(2) Angstrom, beta = 91.01(1)degrees. The packing of molecules is determined by a hydrogen bond N - H ... N (2.908(5)).

  DOI：

  10.1023/a:1027477730919

文献信息

• ——
  作者：Bruna Bovio、Paolo Quadrelli

  DOI：10.1023/a:1027477730919

  日期：——

  The condensation of amidrazones with alpha-bromoketones through ring closure affords two isomeric products. The minor product was subjected to X-ray diffractometric analysis and turned-out to be a substituted imidazole. The title compound crystallizes in space group P2(1)/c, with a = 11.838(2); b = 13.249(1); c = 11.226(2) Angstrom, beta = 91.01(1)degrees. The packing of molecules is determined by a hydrogen bond N - H ... N (2.908(5)).