2-[2-(2-Methoxyethoxy)ethoxy]ethyl 3-formyl-5-[2-[3-[2-[3-[2-[3-formyl-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]benzoate | 647851-43-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2-[2-(2-Methoxyethoxy)ethoxy]ethyl 3-formyl-5-[2-[3-[2-[3-[2-[3-formyl-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]benzoate
• 英文别名: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-formyl-5-[2-[3-[2-[3-[2-[3-formyl-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]benzoate
• CAS: 647851-43-2
• 化学式: C₆₄H₇₄O₂₂
• 分子量: 1195.28
• InChiKey: DDTIZMNIYAWWTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  86
• 可旋转键数：
  52
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  250
• 氢给体数：
  0
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  甲氧苯胺 、 2-[2-(2-Methoxyethoxy)ethoxy]ethyl 3-formyl-5-[2-[3-[2-[3-[2-[3-formyl-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]benzoate 反应 20.0h， 以93%的产率得到
  参考文献：
  名称：

  Reversible Polymerization Driven by Folding

  摘要：

  Bisfunctionalized m-phenylene ethynylene imine oligomers were polymerized in the polar solvent acetonitrile, resulting in high-molecular weight poly(m-phenylene ethynylene imine)s. It is hypothesized that this polymerization, which proceeds through the reversible metathesis of imine bonds, is driven by the folding of the long m-phenylene ethynylene imine chains. Upon conducting the polymerization in a series of solvents in which the m-phenylene ethynylene oligomers exhibit different folding stabilities, it was possible to correlate the molecular weight of the resulting poly(m-phenylene ethynylene imine)s with the helical stability of the corresponding oligomers. The polymerization was also demonstrated to be reversible and responsive to solvent and temperature changes.

  DOI：

  10.1021/ja026957e
• 作为产物：
  描述：

  2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-bromo-5-trimethylsilanylethynylbenzoate 在 tris(dibenzylideneacetone)dipalladium (0) copper(l) iodide 、 四丁基氟化铵 、 溶剂黄146 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 76.19h， 生成 2-[2-(2-Methoxyethoxy)ethoxy]ethyl 3-formyl-5-[2-[3-[2-[3-[2-[3-formyl-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]benzoate
  参考文献：
  名称：

  Reversible Polymerization Driven by Folding

  摘要：

  Bisfunctionalized m-phenylene ethynylene imine oligomers were polymerized in the polar solvent acetonitrile, resulting in high-molecular weight poly(m-phenylene ethynylene imine)s. It is hypothesized that this polymerization, which proceeds through the reversible metathesis of imine bonds, is driven by the folding of the long m-phenylene ethynylene imine chains. Upon conducting the polymerization in a series of solvents in which the m-phenylene ethynylene oligomers exhibit different folding stabilities, it was possible to correlate the molecular weight of the resulting poly(m-phenylene ethynylene imine)s with the helical stability of the corresponding oligomers. The polymerization was also demonstrated to be reversible and responsive to solvent and temperature changes.

  DOI：

  10.1021/ja026957e

文献信息

• Reversible Polymerization Driven by Folding
  作者：Dahui Zhao、Jeffrey S. Moore

  DOI：10.1021/ja026957e

  日期：2002.8.1

  Bisfunctionalized m-phenylene ethynylene imine oligomers were polymerized in the polar solvent acetonitrile, resulting in high-molecular weight poly(m-phenylene ethynylene imine)s. It is hypothesized that this polymerization, which proceeds through the reversible metathesis of imine bonds, is driven by the folding of the long m-phenylene ethynylene imine chains. Upon conducting the polymerization in a series of solvents in which the m-phenylene ethynylene oligomers exhibit different folding stabilities, it was possible to correlate the molecular weight of the resulting poly(m-phenylene ethynylene imine)s with the helical stability of the corresponding oligomers. The polymerization was also demonstrated to be reversible and responsive to solvent and temperature changes.