1-(4-{1-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-1H-[1,2,3]triazol-4-ylmethoxy}-phenyl)-ethanone | 1144040-27-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-{1-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-1H-[1,2,3]triazol-4-ylmethoxy}-phenyl)-ethanone
• 英文别名: 1-[4-[[1-[2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]triazol-4-yl]methoxy]phenyl]ethanone
• CAS: 1144040-27-6
• 化学式: C₁₇H₁₈N₆O₄
• 分子量: 370.368
• InChiKey: SPYUNMVJBONGPO-UHFFFAOYSA-N

物化性质

• 熔点：
  168-170 °C
• 沸点：
  659.5±65.0 °C(predicted)
• 密度：
  1.40±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  121
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-[4-(2-丙炔基氧基)苯基]-1-乙酮 、 1-(2-叠氮乙基)-2-甲基-5-硝基咪唑 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 2.0h， 以54%的产率得到1-(4-{1-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-1H-[1,2,3]triazol-4-ylmethoxy}-phenyl)-ethanone
  参考文献：
  名称：

  Synthesis and antibacterial activity evaluation of metronidazole–triazole conjugates

  摘要：

  Synthesis and antibacterial activity of metronidazole-triazole conjugates are reported. Total 21 hybrid compounds have been synthesized with different substitution pattern on the triazole ring in order to study their influence on the antibacterial activity. These compounds demonstrated potent to weak antibacterial activity against Gram-positive, and Gram-negative bacteria. Six compounds have shown equal or better antibacterial activity against Gram-negative strains than the reference compound. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.037

文献信息

• Synthesis and antibacterial activity evaluation of metronidazole–triazole conjugates
  作者：Beena、Nitin Kumar、Rajesh K. Rohilla、N. Roy、Diwan S. Rawat

  DOI：10.1016/j.bmcl.2009.01.037

  日期：2009.3

  Synthesis and antibacterial activity of metronidazole-triazole conjugates are reported. Total 21 hybrid compounds have been synthesized with different substitution pattern on the triazole ring in order to study their influence on the antibacterial activity. These compounds demonstrated potent to weak antibacterial activity against Gram-positive, and Gram-negative bacteria. Six compounds have shown equal or better antibacterial activity against Gram-negative strains than the reference compound. (C) 2009 Elsevier Ltd. All rights reserved.