2-bromo-1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone | 1321895-07-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
• 英文别名: 2-Bromo-1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
• CAS: 1321895-07-1
• 化学式: C₁₀H₆BrF₂N₃O
• 分子量: 302.078
• InChiKey: CAOHJAAIIQPXOB-UHFFFAOYSA-N

物化性质

• 熔点：
  72-74 °C(Solvent: Ethanol; Water)
• 沸点：
  394.4±52.0 °C(predicted)
• 密度：
  1.75±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-bromo-1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone 、 4-氯苯基硫脲 以 1,4-二氧六环 为溶剂， 以36.1%的产率得到4-(2,4-difluorophenyl)-N-(4-chlorophenyl)-5-(1H-1,2,4-triazol-1-yl)thiazol-2-amine
  参考文献：
  名称：

  Synthesis and Biological Activities Evaluation of New 4-(2,4-Difluorophenyl)-N-aryl-5-(1H-1,2,4-triazol-1-yl)thiazol-2-amine

  摘要：

  Fifteen new thiazol-2-amine derivatives containing the 2,4-difluorophenyl unit and 1H-1,2,4-triazole moiety were synthesized. Their structures of all these new compounds have been confirmed by H-1 NMR spectra and elemental analysis. The antifungal and plant-growth-regulatory activities of the title compounds are discussed.

  DOI：

  10.1080/00397911.2010.517609
• 作为产物：
  描述：

  2'4'-二氟-2-[1-(1H-1,2,4-三唑基)]苯乙酮 在 溴 、 溶剂黄146 作用下， 反应 4.0h， 以69%的产率得到2-bromo-1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
  参考文献：
  名称：

  Synthesis and Biological Activities Evaluation of New 4-(2,4-Difluorophenyl)-N-aryl-5-(1H-1,2,4-triazol-1-yl)thiazol-2-amine

  摘要：

  Fifteen new thiazol-2-amine derivatives containing the 2,4-difluorophenyl unit and 1H-1,2,4-triazole moiety were synthesized. Their structures of all these new compounds have been confirmed by H-1 NMR spectra and elemental analysis. The antifungal and plant-growth-regulatory activities of the title compounds are discussed.

  DOI：

  10.1080/00397911.2010.517609

文献信息

• Synthesis and Biological Activities Evaluation of New 4-(2,4-Difluorophenyl)-N-aryl-5-(1<i>H</i>-1,2,4-triazol-1-yl)thiazol-2-amine
  作者：Jian-Bing Liu、Hong Dai、Jian-Xin Fang

  DOI：10.1080/00397911.2010.517609

  日期：2011.11.1

  Fifteen new thiazol-2-amine derivatives containing the 2,4-difluorophenyl unit and 1H-1,2,4-triazole moiety were synthesized. Their structures of all these new compounds have been confirmed by H-1 NMR spectra and elemental analysis. The antifungal and plant-growth-regulatory activities of the title compounds are discussed.