4-(3,5-Dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole | 1350626-13-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(3,5-Dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole
• CAS: 1350626-13-9
• 化学式: C₁₈H₁₉N₃O₃
• 分子量: 325.367
• InChiKey: FNWSBDMQOCCFTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(3,5-Dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以85%的产率得到5-[1-[(4-Hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol
  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 4-(3,5-Dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]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