1-bromo-3-(dimethoxymethyl)-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzene | 952794-90-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-bromo-3-(dimethoxymethyl)-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzene
• CAS: 952794-90-0
• 化学式: C₁₆H₂₅BrO₆
• 分子量: 393.275
• InChiKey: LPVUAJUCRQZIJH-UHFFFAOYSA-N

物化性质

• 沸点：
  426.9±45.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23.0
• 可旋转键数：
  13.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-bromo-3-(dimethoxymethyl)-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzene 、 三甲基乙炔基硅 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 三乙胺 作用下， 以94%的产率得到[(3-(dimethoxymethyl)-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}phenyl)ethynyl](trimethyl)silane
  参考文献：
  名称：

  Programmed Dynamic Covalent Assembly of Unsymmetrical Macrocycles

  摘要：

  Unsymmetrical shape-persistent macrocycles have been prepared from diphenylacetylene monomers using imine formation and metathesis. A sequence-directed approach, in which each monomer is uniquely labeled by its N-donor/C-donor sequence, has been used to control the self-assembly and makes possible an added level of complexity in the final structures. To illustrate the potential of this strategy, a series of macrocycles with different side-chain substitution patterns have been prepared, including monofunctionalized and Janus-type structures. We believe this to be the first example of sequence control of dynamic covalent self-assembly and that it will enable the fully covalent synthesis of more complex nanostructures.

  DOI：

  10.1021/ja0745963
• 作为产物：
  描述：

  3-bromo-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzaldehyde 、 原甲酸三甲酯 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 以82%的产率得到1-bromo-3-(dimethoxymethyl)-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzene
  参考文献：
  名称：

  Programmed Dynamic Covalent Assembly of Unsymmetrical Macrocycles

  摘要：

  Unsymmetrical shape-persistent macrocycles have been prepared from diphenylacetylene monomers using imine formation and metathesis. A sequence-directed approach, in which each monomer is uniquely labeled by its N-donor/C-donor sequence, has been used to control the self-assembly and makes possible an added level of complexity in the final structures. To illustrate the potential of this strategy, a series of macrocycles with different side-chain substitution patterns have been prepared, including monofunctionalized and Janus-type structures. We believe this to be the first example of sequence control of dynamic covalent self-assembly and that it will enable the fully covalent synthesis of more complex nanostructures.

  DOI：

  10.1021/ja0745963