3-Methyl-1-[1-[3-methyl-1-[1-(5-methylhex-1-yn-3-yl)triazol-4-yl]butyl]triazol-4-yl]butan-1-ol | 913619-20-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Methyl-1-[1-[3-methyl-1-[1-(5-methylhex-1-yn-3-yl)triazol-4-yl]butyl]triazol-4-yl]butan-1-ol
• 英文别名: 3-methyl-1-[1-[3-methyl-1-[1-(5-methylhex-1-yn-3-yl)triazol-4-yl]butyl]triazol-4-yl]butan-1-ol
• CAS: 913619-20-2
• 化学式: C₂₁H₃₄N₆O
• 分子量: 386.541
• InChiKey: AINRDVYKOSDPNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  81.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3-azido-5-methylhex-1-ynyl)-trimethylsilane 、 3-Methyl-1-[1-[3-methyl-1-[1-(5-methylhex-1-yn-3-yl)triazol-4-yl]butyl]triazol-4-yl]butan-1-ol 在 铜 作用下， 以 水 、 叔丁醇 为溶剂， 以51%的产率得到3-Methyl-1-[1-[3-methyl-1-[1-[3-methyl-1-[1-(5-methyl-1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]butyl]triazol-4-yl]butyl]triazol-4-yl]butan-1-ol
  参考文献：
  名称：

  Synthesis of azide-alkyne fragments for ‘click’ chemical applications; formation of oligomers from orthogonally protected trialkylsilyl-propargyl azides and propargyl alcohols

  摘要：

  A series of orthogonally protected 1,4-disubstituted-1,2,3-triazoles were prepared from the corresponding alkynols and trialkylsilyl-propargyl azides via 1,3-dipolar cycloaddition. These cycloadducts were selectively deprotected and extended in a stepwise fashion via further 'click' reactions to form oligomeric peptidomimetic compounds. This methodology gives access to triazolebased peptidomimetics in a controlled fashion and lays the foundation for a fragment-based approach to drug discovery. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.07.131
• 作为产物：
  描述：

  (+/-)-1-trimethylsilyl-5-methyl-1-hexyn-3-ol 在 L-ascorbic acid sodium salt 、 铜 、 potassium carbonate 、 copper(II) sulfate 作用下， 以 甲醇 、 水 、 叔丁醇 为溶剂， 反应 11.0h， 生成 3-Methyl-1-[1-[3-methyl-1-[1-(5-methylhex-1-yn-3-yl)triazol-4-yl]butyl]triazol-4-yl]butan-1-ol
  参考文献：
  名称：

  Synthesis of azide-alkyne fragments for ‘click’ chemical applications; formation of oligomers from orthogonally protected trialkylsilyl-propargyl azides and propargyl alcohols

  摘要：

  A series of orthogonally protected 1,4-disubstituted-1,2,3-triazoles were prepared from the corresponding alkynols and trialkylsilyl-propargyl azides via 1,3-dipolar cycloaddition. These cycloadducts were selectively deprotected and extended in a stepwise fashion via further 'click' reactions to form oligomeric peptidomimetic compounds. This methodology gives access to triazolebased peptidomimetics in a controlled fashion and lays the foundation for a fragment-based approach to drug discovery. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.07.131