| 545432-91-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 545432-91-5
• 化学式: C₃₄H₃₈O₁₀
• 分子量: 606.67
• InChiKey: WKWYWEAKWFQCIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  44.0
• 可旋转键数：
  20.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  107.98
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 tris(dibenzylideneacetone)dipalladium (0) copper(l) iodide 、 三乙胺 、 三苯基膦 、 tin(ll) chloride 作用下， 以 乙醇 、 乙酸乙酯 、 乙腈 为溶剂， 反应 41.0h， 生成 2-[2-(2-Methoxyethoxy)ethoxy]ethyl 3-[2-[3-amino-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]ethynyl]-5-[2-[3-[2-[3-amino-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
• 作为产物：
  描述：

  2-[2-(2-methoxy)ethoxy]ethyl 3-bromo-5-ethynylbenzoate 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 为溶剂， 反应 40.17h， 生成
  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

• Foldamer Structuring by Covalently Bound Macromolecules
  作者：Koushik Ghosh、Jeffrey S. Moore

  DOI：10.1021/ja2087163

  日期：2011.12.14

  We used fluorescence and electronic absorption spectroscopy to study the molecular weight dependence of macromolecule-induced folding in a chain-centered meta-phenylene ethynylene (mPE) oligomer. Analogous to the ability of intrinsically unstructured proteins (IUPs) to induce folding of globular proteins in cellular environments, we show that macromolecules attached to both ends of an mPE dodecamer induce the foldarner to collapse into a presumed helical conformation. The collapse is especially prominent once the macromolecule segments become larger than ca. 50 kDa. For sufficiently large macromolecules, the conformational structuring occurs even in solvents that normally denature the foldamer. Based on these findings, chain-centered foldamers might find use as models to investigate the fundamental macromolecular physics of IUPs.