4-(5-(3,4,5-trimethoxyphenyl)-4H-[1,2,4]triazol-3-ylmethoxy)-2H-chromen-2-one | 1351306-69-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4-(5-(3,4,5-trimethoxyphenyl)-4H-[1,2,4]triazol-3-ylmethoxy)-2H-chromen-2-one
• 英文别名: 4-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]chromen-2-one
• CAS: 1351306-69-8
• 化学式: C₂₁H₁₉N₃O₆
• 分子量: 409.398
• InChiKey: YWHWPLXIOYPXID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  ethyl 2-(2-oxo-2H-chromen-4-yloxy)acetate 在 ammonium acetate 、 一水合肼 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 10.0h， 生成 4-(5-(3,4,5-trimethoxyphenyl)-4H-[1,2,4]triazol-3-ylmethoxy)-2H-chromen-2-one
  参考文献：
  名称：

  Synthesis and antimicrobial activity of some new 4-triazolylmethoxy-2H-chromen-2-one derivatives

  摘要：

  4-(5-Aryl-4H-[1,2,4]triazol-3-ylmethoxy)-2H-chromen-2-ones have been synthesized by the one pot cyclocondensation reaction of 2-(2-oxo-2H-chromen-4-yloxy)acetohydrazide with aromatic/heterocyclic aldehydes in the presence of ammonium acetate in acetic acid. The structures of all the new compounds have been established on the basis of their analytical and spectral data. These compounds were also evaluated for their antibacterial and antifungal activity against various strains of bacteria and fungi and some are found to possess significant antimicrobial activity when compared with ciprofloxacin and miconazole.

  DOI：

  10.1007/s00044-011-9881-0

文献信息

• Synthesis and antimicrobial activity of some new 4-triazolylmethoxy-2H-chromen-2-one derivatives
  作者：Siva S. Panda、Ritu Malik、Mahesh Chand、Subhash C. Jain

  DOI：10.1007/s00044-011-9881-0

  日期：2012.11

  4-(5-Aryl-4H-[1,2,4]triazol-3-ylmethoxy)-2H-chromen-2-ones have been synthesized by the one pot cyclocondensation reaction of 2-(2-oxo-2H-chromen-4-yloxy)acetohydrazide with aromatic/heterocyclic aldehydes in the presence of ammonium acetate in acetic acid. The structures of all the new compounds have been established on the basis of their analytical and spectral data. These compounds were also evaluated for their antibacterial and antifungal activity against various strains of bacteria and fungi and some are found to possess significant antimicrobial activity when compared with ciprofloxacin and miconazole.