2-chloro-1-(2,4-dichlorophenyl)-3-(imidazol-1-yl)-2-phenylpropan-1-one | 107316-25-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-chloro-1-(2,4-dichlorophenyl)-3-(imidazol-1-yl)-2-phenylpropan-1-one
• 英文别名: 2-Chloro-1-(2,4-dichlorophenyl)-3-(1H-imidazol-1-yl)-2-phenylpropan-1-one；2-chloro-1-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-phenylpropan-1-one
• CAS: 107316-25-6
• 化学式: C₁₈H₁₃Cl₃N₂O
• 分子量: 379.673
• InChiKey: GKTKUYJTDBCFPL-UHFFFAOYSA-N

物化性质

• 沸点：
  560.2±50.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  alpha- 溴苯乙烯 在 N-氯代丁二酰亚胺 、 barium manganate 、 magnesium 、 lithium hexamethyldisilazane 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 16.5h， 生成 2-chloro-1-(2,4-dichlorophenyl)-3-(imidazol-1-yl)-2-phenylpropan-1-one
  参考文献：
  名称：

  2-Chloro-1-(2,4-dichlorophenyl)-3-(1H-imidazol-1-yl)-2-phenylpropan-1-one hydrochloride, a novel, nonmutagenic antibacterial with specific activity against anaerobic bacteria

  摘要：

  1-(2,4-Dichlorophenyl)-2-phenylpropen-1-one (2) is identified as a potent antibacterial agent. A compound, 2-chloro-1-(2,4-dichlorophenyl)-3-(1H-imidazol-1-yl)-2-phenylpropan-1-one (5) has been designed with the intention of its acting as a pro-drug, liberating the lethal species 2 specifically within the target anaerobic bacterial cell following bioreduction by bacterial ferredoxin or related electron transfer proteins. The synthesis and biological activity of 5 is described and compared with the activities of the analogous alpha-bromo ketone 6 and alpha-fluoro ketone 7. Synthesis of 6, 7, and the corresponding alpha-hydroxy ketone 11 is also described.

  DOI：

  10.1021/jm00112a006

文献信息

• Chloro-substituted ketone imidazole derivatives
  申请人：G. D. Searle & Co.

  公开号：US04761483A1

  公开（公告）日：1988-08-02

  The present invention relates to a class of novel chloro-substituted ketone imidazole derivatives. The invention further relates to pharmaceutical compositions containing such compounds and to the use of such compounds and compositions as anti-anaerobic agents.

  本发明涉及一类新型的氯取代酮咪唑衍生物。本发明还涉及含有这些化合物的制药组合物，以及将这些化合物和组合物用作抗厌氧菌剂的用途。
• US4761483A
  申请人：——

  公开号：US4761483A

  公开（公告）日：1988-08-02