1-(4-Methoxybenzyl)-4-(4-methoxyphenyl)-1H-1,2,3-triazole | 1350626-12-8

• 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)-4-(4-methoxyphenyl)-1H-1,2,3-triazole
• 英文别名: 4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole
• CAS: 1350626-12-8
• 化学式: C₁₇H₁₇N₃O₂
• 分子量: 295.341
• InChiKey: UHZHNPNPAYGNGZ-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)-4-(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87%的产率得到4-[[4-(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 、 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 14.0h， 生成 1-(4-Methoxybenzyl)-4-(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

• Efficient Synthesis of 5-Trifluoromethylthio-1,2,3-Triazoles: One-Pot Multicomponent Reaction from Elemental Sulfur and TMSCF3
  作者：Lin-Lin Zhang、Meng-Tian Li、Liang-Liang Shen、Qin-Pei Wu

  DOI：10.1055/s-0039-1690716

  日期：2020.1

  A sequential multistep reaction toward 5-trifluoromethyl­thio-1,2,3-triazoles has been established, starting from alkynes, organo­azides, S8, and (trifluoromethyl)trimethylsilane (TMSCF3). This reaction features mild conditions, easy operation, and readily available substrates.

  从炔烃，有机叠氮化物，S 8和（三氟甲基）三甲基硅烷（TMSCF 3）开始，已经建立了针对5-三氟甲硫基-1,2,3-三唑的顺序多步反应。该反应具有条件温和，易于操作和易于获得的底物的特点。