3-[2-[3-(Dimethoxymethyl)-5-hexadecoxyphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline | 952795-00-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-[2-[3-(Dimethoxymethyl)-5-hexadecoxyphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
• CAS: 952795-00-5
• 化学式: C₄₀H₆₃NO₇
• 分子量: 669.943
• InChiKey: BAVCONMGTWZANE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  48
• 可旋转键数：
  31
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  90.6
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-[2-[3-(Dimethoxymethyl)-5-hexadecoxyphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline 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：

  在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以86%的产率得到3-[2-[3-(Dimethoxymethyl)-5-hexadecoxyphenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
  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.