1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-(4-methoxyphenyl)triazole | 1143526-79-7

• 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-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-(4-methoxyphenyl)triazole
• CAS: 1143526-79-7
• 化学式: C₁₉H₂₅N₃O
• 分子量: 311.427
• InChiKey: MVMQTBKEDYWMNY-VBKFSLOCSA-N

物化性质

• 沸点：
  473.9±55.0 °C(predicted)
• 密度：
  1.02±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  香叶基溴 、 4-乙炔基苯甲醚 在 sodium azide 、 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 乙腈 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-(4-methoxyphenyl)triazole 、 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-(4-methoxyphenyl)triazole
  参考文献：
  名称：

  Synthesis of a polyprenyl-type library containing 1,4-disubstituted-1,2,3-triazoles with anti-biofilm activities against Pseudoalteromonas sp.

  摘要：

  A terpenoid-like library containing 1,4-disubstituted-(1H)-1,2,3-triazoles was prepared by means of 1,3-dipolar cycloaddition of geranyl and farnesyl azides with a set of terminal alkynes, in order to design a new class of potentially active anti-biofilm compounds. Reactions were optimized to proceed under mild conditions and in high yields, Two compounds were found to possess interesting activity against Pseudoalteromonas sp. biofilm. This process is Suitable for combinatorial chemistry of marine natural product-like Compounds. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.125

文献信息

• Synthesis of a polyprenyl-type library containing 1,4-disubstituted-1,2,3-triazoles with anti-biofilm activities against Pseudoalteromonas sp.
  作者：Annie Praud-Tabaries、Linda Dombrowsky、Olivier Bottzek、Jean-Francois Briand、Yves Blache

  DOI：10.1016/j.tetlet.2009.01.125

  日期：2009.4

  A terpenoid-like library containing 1,4-disubstituted-(1H)-1,2,3-triazoles was prepared by means of 1,3-dipolar cycloaddition of geranyl and farnesyl azides with a set of terminal alkynes, in order to design a new class of potentially active anti-biofilm compounds. Reactions were optimized to proceed under mild conditions and in high yields, Two compounds were found to possess interesting activity against Pseudoalteromonas sp. biofilm. This process is Suitable for combinatorial chemistry of marine natural product-like Compounds. (C) 2009 Elsevier Ltd. All rights reserved.