2-[3-[[4-[4-[1-[[3,5-Bis[2-tri(propan-2-yl)silylethynyl]phenyl]methyl]triazol-4-yl]phenyl]triazol-1-yl]methyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane | 1239921-64-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[3-[[4-[4-[1-[[3,5-Bis[2-tri(propan-2-yl)silylethynyl]phenyl]methyl]triazol-4-yl]phenyl]triazol-1-yl]methyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
• 英文别名: 2-[3-[[4-[4-[1-[[3,5-bis[2-tri(propan-2-yl)silylethynyl]phenyl]methyl]triazol-4-yl]phenyl]triazol-1-yl]methyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
• CAS: 1239921-64-2
• 化学式: C₆₈H₁₀₀N₆Si₄
• 分子量: 1113.92
• InChiKey: KPVDNJDUUPLJMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.58
• 重原子数：
  78
• 可旋转键数：
  26
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[3-[[4-[4-[1-[[3,5-Bis[2-tri(propan-2-yl)silylethynyl]phenyl]methyl]triazol-4-yl]phenyl]triazol-1-yl]methyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以88.9%的产率得到1-[(3,5-Diethynylphenyl)methyl]-4-[4-[1-[(3,5-diethynylphenyl)methyl]triazol-4-yl]phenyl]triazole
  参考文献：
  名称：

  Designing dendritic frameworks using versatile building blocks suitable for CuI-catalyzed alkyne azide ‘click’ chemistry

  摘要：

  Synthesis of molecular building blocks that incorporate azide and alkyne-terminated functionalities suitable for Cu-I-catalyzed cycloaddition between alkynes and azides is reported. Their utility in constructing dendritic frameworks with 4, 6, or 12 peripheral acetylene groups using either the convergent or divergent methodology, and their functionalization with desirable end groups are demonstrated. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.05.061
• 作为产物：
  描述：

  1,4-二乙炔基苯 、 3,5-bis(triisopropylsilylethynyl)benzyl azide 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 以92.2%的产率得到2-[3-[[4-[4-[1-[[3,5-Bis[2-tri(propan-2-yl)silylethynyl]phenyl]methyl]triazol-4-yl]phenyl]triazol-1-yl]methyl]-5-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
  参考文献：
  名称：

  Designing dendritic frameworks using versatile building blocks suitable for CuI-catalyzed alkyne azide ‘click’ chemistry

  摘要：

  Synthesis of molecular building blocks that incorporate azide and alkyne-terminated functionalities suitable for Cu-I-catalyzed cycloaddition between alkynes and azides is reported. Their utility in constructing dendritic frameworks with 4, 6, or 12 peripheral acetylene groups using either the convergent or divergent methodology, and their functionalization with desirable end groups are demonstrated. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.05.061