1-(Dimethoxymethyl)-3-[2-[3-(dimethoxymethyl)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene | 952795-01-6

• 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-(Dimethoxymethyl)-3-[2-[3-(dimethoxymethyl)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
• CAS: 952795-01-6
• 化学式: C₃₄H₅₀O₁₂
• 分子量: 650.764
• InChiKey: MRTYHLGYGJACEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  46
• 可旋转键数：
  28
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  、 1-(Dimethoxymethyl)-3-[2-[3-(dimethoxymethyl)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene 、 3-[2-(3-Amino-5-hexadecoxyphenyl)ethynyl]-5-hexadecoxyaniline 在 scandium tris(trifluoromethanesulfonate) 作用下， 以 various solvent(s) 为溶剂， 20.0~75.0 ℃ 、133.32 Pa 条件下， 反应 3.0h， 生成
  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：

  1-bromo-3-(dimethoxymethyl)-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzene 、 1-(dimethoxymethyl)-3-ethynyl-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzene 在 Pd(I) dimer pre-catalyst 二异丙胺 、 zinc dibromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以75%的产率得到1-(Dimethoxymethyl)-3-[2-[3-(dimethoxymethyl)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethynyl]-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

文献信息

• Programmed Dynamic Covalent Assembly of Unsymmetrical Macrocycles
  作者：C. Scott Hartley、Jeffrey S. Moore

  DOI：10.1021/ja0745963

  日期：2007.9.1

  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.