4-(1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazol-4-yl)aniline

• 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-(1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazol-4-yl)aniline
• 英文别名: 4-[1-(3,4,5-Trimethoxyphenyl)triazol-4-yl]aniline
• 化学式: C₁₇H₁₈N₄O₃
• 分子量: 326.355
• InChiKey: AJIOGSWROQQHPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 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：
  84.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,4,5-三甲氧基苯胺 在 盐酸 、 copper(II) sulfate 、 sodium ascorbate 、 sodium nitrite 作用下， 以 叔丁醇 为溶剂， 反应 26.17h， 生成 4-(1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazol-4-yl)aniline
  参考文献：
  名称：

  Rapid Synthesis of Triazole-Modified Resveratrol Analogues via Click Chemistry

  摘要：

  Resveratrol is a phytoalexin able to display an array of biological activities. We decided to replace the double bond with a triazole ring using the archetypical click reaction: the Huisgen [3 + 2] cycloaddition. Seventy-two triazole derivatives were synthesized via a parallel combinatorial approach. Preliminary data suggest that this procedure can lead to the synthesis of compounds that display some, but not all, of resveratrol's actions with increased potency.

  DOI：

  10.1021/jm051118z

文献信息

• Rapid Synthesis of Triazole-Modified Resveratrol Analogues via Click Chemistry
  作者：Francesca Pagliai、Tracey Pirali、Erika Del Grosso、Riccardo Di Brisco、Gian Cesare Tron、Giovanni Sorba、Armando A. Genazzani

  DOI：10.1021/jm051118z

  日期：2006.1.1

  Resveratrol is a phytoalexin able to display an array of biological activities. We decided to replace the double bond with a triazole ring using the archetypical click reaction: the Huisgen [3 + 2] cycloaddition. Seventy-two triazole derivatives were synthesized via a parallel combinatorial approach. Preliminary data suggest that this procedure can lead to the synthesis of compounds that display some, but not all, of resveratrol's actions with increased potency.