1-(2-hydroxyethoxymethyl)-5-[5-[4-(trifluoromethyl)phenyl]-2H-triazol-4-yl]-1,2,4-triazole-3-carboxamide | 1266359-44-7

• 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-(2-hydroxyethoxymethyl)-5-[5-[4-(trifluoromethyl)phenyl]-2H-triazol-4-yl]-1,2,4-triazole-3-carboxamide
• CAS: 1266359-44-7
• 化学式: C₁₅H₁₄F₃N₇O₃
• 分子量: 397.316
• InChiKey: HQQUGYWMXCXDER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  145
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  5-[(4-trifluoromethylphenyl)ethynyl]-1-[(2-hydroxyethoxy)methyl]-1,2,4-triazole-3-carboxamide 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以53%的产率得到1-(2-hydroxyethoxymethyl)-5-[5-[4-(trifluoromethyl)phenyl]-2H-triazol-4-yl]-1,2,4-triazole-3-carboxamide
  参考文献：
  名称：

  Bitriazolyl acyclonucleosides synthesized via Huisgen reaction using internal alkynes show antiviral activity against tobacco mosaic virus

  摘要：

  A family of novel bitriazolyl acyclonucleosides were synthesized using a simple and convenient one-step synthetic procedure via the Huisgen reaction by addition of NaN3 onto triazole nucleosides bearing internal alkynyl groups introduced at the 5-position of the triazole ring. Some of the compounds exhibited interesting antiviral activity against tobacco mosaic virus, demonstrating the importance of the bitriazolyl motif for the observed antiviral activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.141

文献信息

• Bitriazolyl acyclonucleosides synthesized via Huisgen reaction using internal alkynes show antiviral activity against tobacco mosaic virus
  作者：Menghua Wang、Ruizhi Zhu、Zhijin Fan、Yifeng Fu、Liang Feng、Jianhua Yao、Alain Maggiani、Yi Xia、Fanqi Qu、Ling Peng

  DOI：10.1016/j.bmcl.2010.10.141

  日期：2011.1

  A family of novel bitriazolyl acyclonucleosides were synthesized using a simple and convenient one-step synthetic procedure via the Huisgen reaction by addition of NaN3 onto triazole nucleosides bearing internal alkynyl groups introduced at the 5-position of the triazole ring. Some of the compounds exhibited interesting antiviral activity against tobacco mosaic virus, demonstrating the importance of the bitriazolyl motif for the observed antiviral activity. (C) 2010 Elsevier Ltd. All rights reserved.