4,5-dibromo-N-butyl-1H-pyrrole-2-carboxamide | 50371-58-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4,5-dibromo-N-butyl-1H-pyrrole-2-carboxamide
• 英文别名: 4,5-dibromo-pyrrole-2-carboxylic acid butylamide
• CAS: 50371-58-9
• 化学式: C₉H₁₂Br₂N₂O
• 分子量: 324.015
• InChiKey: ARBALQDTDQANTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  44.9
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-(三氯乙酰)吡咯 在 氢溴酸 、 三乙胺 、 sodium nitrite 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 4.0h， 生成 4,5-dibromo-N-butyl-1H-pyrrole-2-carboxamide
  参考文献：
  名称：

  Synthesis and biological evaluation of pyrrole-2-carboxamide derivatives: oroidin analogues

  摘要：

  The reaction of pyrrole or dibromopyrrole-2-trichloroacetone with various amines results in the series of novel pyrrole-2-carboxamide bearing aromatic heterocycle or aryl or alkyl groups. Synthesized molecules were evaluated for their in vitro antibacterial activities. Most of the compounds exhibited potent activity against both Gram-positive and negative pathogens.

  DOI：

  10.1007/s00044-013-0743-9

文献信息

• Synthesis and biological evaluation of pyrrole-2-carboxamide derivatives: oroidin analogues
  作者：Balaram S. Takale、Neha V. Desai、Afsar Ali Siddiki、Hemchandra K. Chaudhari、Vikas N. Telvekar

  DOI：10.1007/s00044-013-0743-9

  日期：2014.3

  The reaction of pyrrole or dibromopyrrole-2-trichloroacetone with various amines results in the series of novel pyrrole-2-carboxamide bearing aromatic heterocycle or aryl or alkyl groups. Synthesized molecules were evaluated for their in vitro antibacterial activities. Most of the compounds exhibited potent activity against both Gram-positive and negative pathogens.