1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)propan-1-one nitrate | 1384474-73-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)propan-1-one nitrate
• CAS: 1384474-73-0
• 化学式: C₁₁H₉F₂N₃O*HNO₃
• 分子量: 300.222
• InChiKey: ANMWXSAOVVKTIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  111.15
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-(2-溴乙氧基)-4-氯苯 、 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)propan-1-one nitrate 在 四丁基氢氧化铵 、 sodium hydroxide 、 硝酸 作用下， 以 水 、 甲苯 、 异丙醇 为溶剂， 反应 20.0h， 以62%的产率得到1-[1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-triazole;nitric acid
  参考文献：
  名称：

  Synthesis and biological evaluation of vinyl ether-containing azole derivatives as inhibitors of Trichophyton rubrum

  摘要：

  In an attempt to search for many target compounds with excellent activities, a series of vinyl ether-containing azole derivatives were designed, synthesized, and evaluated as antifungal agents. Results of preliminary antifungal tests against Trichophyton rubrum in vitro indicated that most of the synthesized compounds showed excellent activities. In comparison with fluconazole, itraconazole, voriconazole, omoconazole and amphotericin B, several compounds (such as 7d, 7g and 7h) exhibited more potent inhibitory activities, suggesting that they were promising leads for the development of novel antifungal agents. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.070
• 作为产物：
  描述：

  1H-1,2,4-三唑 、 2-氯-1-(2,4-二氟苯基)-1-丙酮 在 potassium carbonate 、 硝酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以55%的产率得到1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)propan-1-one nitrate
  参考文献：
  名称：

  Synthesis and biological evaluation of vinyl ether-containing azole derivatives as inhibitors of Trichophyton rubrum

  摘要：

  In an attempt to search for many target compounds with excellent activities, a series of vinyl ether-containing azole derivatives were designed, synthesized, and evaluated as antifungal agents. Results of preliminary antifungal tests against Trichophyton rubrum in vitro indicated that most of the synthesized compounds showed excellent activities. In comparison with fluconazole, itraconazole, voriconazole, omoconazole and amphotericin B, several compounds (such as 7d, 7g and 7h) exhibited more potent inhibitory activities, suggesting that they were promising leads for the development of novel antifungal agents. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.070