1-(3,5-dimethoxyphenyl)-4-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]triazole | 1279122-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(3,5-dimethoxyphenyl)-4-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]triazole
• CAS: 1279122-81-4
• 化学式: C₂₁H₂₉N₃O₃
• 分子量: 371.48
• InChiKey: PQIZORVTRHXHMM-RQZCQDPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,5-二甲氧基苯胺 在 盐酸 、 copper(ll) sulfate pentahydrate 、 sodium ascorbate 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 反应 17.0h， 生成 1-(3,5-dimethoxyphenyl)-4-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]triazole
  参考文献：
  名称：

  Targeting bacterial biofilms: Design of a terpenoid-like library as non-toxic anti-biofilm compounds

  摘要：

  A new class of anti-biofilm compounds possessing 1,4-disubstituted-(1H)-1,2,3-triazolic cores was designed. Their efficient synthesis was performed by means of click chemistry through 1,3-dipolar cycloadditions. Two compounds were found to act as specific anti-biofilm agents against a gram negative species. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.134

文献信息

• Targeting bacterial biofilms: Design of a terpenoid-like library as non-toxic anti-biofilm compounds
  作者：Cheikh Sall、Linda Dombrowsky、Olivier Bottzeck、Annie Praud-Tabariès、Yves Blache

  DOI：10.1016/j.bmcl.2010.12.134

  日期：2011.3

  A new class of anti-biofilm compounds possessing 1,4-disubstituted-(1H)-1,2,3-triazolic cores was designed. Their efficient synthesis was performed by means of click chemistry through 1,3-dipolar cycloadditions. Two compounds were found to act as specific anti-biofilm agents against a gram negative species. (C) 2011 Elsevier Ltd. All rights reserved.