2,2,2-trichloro-1-(1-phenethyl-1H-pyrrol-2-yl)-ethanone | 1118758-09-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,2-trichloro-1-(1-phenethyl-1H-pyrrol-2-yl)-ethanone
• CAS: 1118758-09-0
• 化学式: C₁₄H₁₂Cl₃NO
• 分子量: 316.614
• InChiKey: HETAJTBGINCNGD-UHFFFAOYSA-N

物化性质

• 沸点：
  408.7±45.0 °C(predicted)
• 密度：
  1.30±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.28
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  22.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  1-phenethyl-1H-pyrrole 、 三氯乙酰氯 以 1,2-二氯乙烷 为溶剂， 反应 7.0h， 生成 2,2,2-trichloro-1-(1-phenethyl-1H-pyrrol-2-yl)-ethanone
  参考文献：
  名称：

  Effects of N-pyrrole substitution on the anti-biofilm activities of oroidin derivatives against Acinetobacter baumannii

  摘要：

  Bacteria of the genus Acinetobacter spp. are rapidly emerging as problematic pathogens in healthcare settings. This is exacerbated by the bacteria's ability to form robust biofilms. Marine natural products incorporating a 2-aminoimidazole (2-AI) motif, namely from the oroidin class of marine alkaloids, have served as a unique scaffold for developing molecules that have the ability to inhibit and disperse bacterial biofilms. Herein we present the anti-biofilm activity of a small library of second generation oroidin analogues against the bacterium Acinetobacter baumannii. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.089