1-(4-methoxybenzyl)-5-(4-methoxyphenyl)-1H-1,2,3-triazole | 1350626-09-3

• 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-(4-methoxybenzyl)-5-(4-methoxyphenyl)-1H-1,2,3-triazole
• 英文别名: 5-(4-Methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole
• CAS: 1350626-09-3
• 化学式: C₁₇H₁₇N₃O₂
• 分子量: 295.341
• InChiKey: FBJPNIGWUGXSHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  49.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-methoxybenzyl)-5-(4-methoxyphenyl)-1H-1,2,3-triazole 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以19%的产率得到4-[[5-(4-Hydroxyphenyl)triazol-1-yl]methyl]phenol
  参考文献：
  名称：

  Designing 2-aminoimidazole alkaloids analogs with anti-biofilm activities: Structure–activities relationships of polysubstituted triazoles

  摘要：

  In order to discover novel probes that may help in the investigation and the control of bacterial biofilms, we have designed a library of triazole-based analogs of 2-aminoimidazole marine alkaloids: naamine A and isonaamine A. Twenty-two compounds were screened for their biofilm inhibitory activity against two strains of Gram-negative bacteria. Four compounds were shown to act as non-toxic inhibitors of biofilm development without effect on bacterial growth even at high concentrations (100 mu M). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.050
• 作为产物：
  描述：

  4-甲氧基氯苄 在 sodium azide 、 二(三苯基膦)环戊二烯基氯化钌(II) 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 反应 14.0h， 生成 1-(4-methoxybenzyl)-5-(4-methoxyphenyl)-1H-1,2,3-triazole
  参考文献：
  名称：

  Designing 2-aminoimidazole alkaloids analogs with anti-biofilm activities: Structure–activities relationships of polysubstituted triazoles

  摘要：

  In order to discover novel probes that may help in the investigation and the control of bacterial biofilms, we have designed a library of triazole-based analogs of 2-aminoimidazole marine alkaloids: naamine A and isonaamine A. Twenty-two compounds were screened for their biofilm inhibitory activity against two strains of Gram-negative bacteria. Four compounds were shown to act as non-toxic inhibitors of biofilm development without effect on bacterial growth even at high concentrations (100 mu M). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.050

文献信息

• A general metal-free route towards the synthesis of 1,2,3-triazoles from readily available primary amines and ketones
  作者：Joice Thomas、Sampad Jana、Jubi John、Sandra Liekens、Wim Dehaen

  DOI：10.1039/c5cc08347h

  日期：——

  An unprecedented approach that enables the direct and selective preparation of 1,5-disubstituted 1,2,3-triazoles from abundantly available building blocks such as primary amines, enolizable ketones and 4-nitrophenyl azide as a renewable...

  一种前所未有的方法，可以从伯胺，可烯醇化的酮和4-硝基苯叠氮化物等可再生原料中大量获得，直接和选择性地制备1,5-二取代1,2,3-三唑。