3,4-dibromo-1-[4-[(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enoyl]phenyl]pyrrole-2,5-dione | 1303957-99-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3,4-dibromo-1-[4-[(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enoyl]phenyl]pyrrole-2,5-dione
• CAS: 1303957-99-4
• 化学式: C₂₀H₁₂Br₂N₂O₆
• 分子量: 536.133
• InChiKey: DQYOAHFQZYACEF-KRXBUXKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(4-乙酰苯基)-2,5-马来酰亚胺 在 aluminum (III) chloride 、 溴 、 potassium hydroxide 作用下， 以 水 为溶剂， 反应 16.0h， 生成 3,4-dibromo-1-[4-[(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enoyl]phenyl]pyrrole-2,5-dione
  参考文献：
  名称：

  Synthesis of 1-(4-((E)-3-arylacryloyl) phenyl)-3,4-dibromo-1H-pyrrole-2,5-diones and screening for anti-Candida and antituberculosis activity

  摘要：

  A series of eleven 1-(4-((E)-3-arylacryloyl) phenyl)-3,4 dibromo-1H-pyrrole-2,5-diones (4'-aminochalcone-based dibromomaleimides) were synthesized using maleic anhydride and p-aminoacetophenone as starting material. Furthermore, there has been some additional work investigating the effect of these derivatives on biological activity. They were characterized using FTIR, H-1 NMR, C-13 NMR, ESI mass spectroscopy, and elemental analysis. The compounds show anti-Candida & antituberculosis activity.

  DOI：

  10.1007/s00044-011-9718-x

文献信息

• Silica sulfuric acid-catalyzed Claisen-Schmidt condensation of 1,3,4 trisubstituted pyrrole 2,5 dione to chalcones
  作者：J. R. Patel、M. H. Malani、B. Z. Dholakiya

  DOI：10.1007/s11164-012-0553-6

  日期：2012.11

  A series of 11 chalcones was synthesized from 1-(4-acetylphenyl)-3,4-dibromo-1H-pyrrole-2,5-dione with various substituted benzaldehyde under solvent-free conditions using silica-sulphuric acid as a catalyst. The yields of chalcones are more than 90 %. All the compounds were characterized by physical, spectroscopic, and elemental analysis.

  在无溶剂条件下，以二氧化硅-硫酸为催化剂，从 1-(4-乙酰基苯基)-3,4-二溴-1H-吡咯-2,5-二酮与各种取代的苯甲醛合成了一系列 11 种查尔酮。查耳酮的产率超过 90%。所有化合物均通过物理、光谱和元素分析进行了表征。
• Synthesis of 1-(4-((E)-3-arylacryloyl) phenyl)-3,4-dibromo-1H-pyrrole-2,5-diones and screening for anti-Candida and antituberculosis activity
  作者：J. R. Patel、B. Z. Dholakiya

  DOI：10.1007/s00044-011-9718-x

  日期：2012.8

  A series of eleven 1-(4-((E)-3-arylacryloyl) phenyl)-3,4 dibromo-1H-pyrrole-2,5-diones (4'-aminochalcone-based dibromomaleimides) were synthesized using maleic anhydride and p-aminoacetophenone as starting material. Furthermore, there has been some additional work investigating the effect of these derivatives on biological activity. They were characterized using FTIR, H-1 NMR, C-13 NMR, ESI mass spectroscopy, and elemental analysis. The compounds show anti-Candida & antituberculosis activity.