2-[(3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene]malononitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[(3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene]malononitrile
• 英文别名: 2-[[3-(3-Bromophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile
• 化学式: C₁₉H₁₁BrN₄
• 分子量: 375.227
• InChiKey: KVXVIYRXZKJJRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  丙二腈 、 3-(3-bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde 以 水 为溶剂， 反应 0.08h， 以94%的产率得到2-[(3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene]malononitrile
  参考文献：
  名称：

  A Green and Facile Synthesis of Biopertinent Pyrazole-Decorated Nitriles and Acrylates under Catalyst-Free Conditions

  摘要：

  A green and efficient methodology has been developed for the construction of 2-[(1,3-diaryl-4-pyrazolyl)methylene]malononitriles, potent antioxidant molecules, in good to excellent yields in five minutes from 1,3-diarylpyrazole-4-carbaldehydes and malononitrile using PEG-400 and water at ambient temperature under catalyst-free conditions. The PEG-400 could be reused without appreciable loss in the yield. The methodology has been extended to the synthesis of a diverse range of homo/heteroaryl-based nitriles and acrylates, reflecting its versatility.

  DOI：

  10.1055/s-0034-1380742

文献信息

• A Green and Facile Synthesis of Biopertinent Pyrazole-Decorated Nitriles and Acrylates under Catalyst-Free Conditions
  作者：Chennan Ramalingan、Lakshmi Jayalakshmi、Kesavan Stalindurai、Ayyanar Karuppasamy、Ramar Sivaramakarthikeyan、Vellasamy Devadoss

  DOI：10.1055/s-0034-1380742

  日期：——

  A green and efficient methodology has been developed for the construction of 2-[(1,3-diaryl-4-pyrazolyl)methylene]malononitriles, potent antioxidant molecules, in good to excellent yields in five minutes from 1,3-diarylpyrazole-4-carbaldehydes and malononitrile using PEG-400 and water at ambient temperature under catalyst-free conditions. The PEG-400 could be reused without appreciable loss in the yield. The methodology has been extended to the synthesis of a diverse range of homo/heteroaryl-based nitriles and acrylates, reflecting its versatility.