2-(2-bromo-2-methylpropanoyloxy)ethyl pent-4-ynoate | 1236141-23-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-(2-bromo-2-methylpropanoyloxy)ethyl pent-4-ynoate
• CAS: 1236141-23-3
• 化学式: C₁₁H₁₅BrO₄
• 分子量: 291.142
• InChiKey: MCGRBBPMYQBRJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  16.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(2-bromo-2-methylpropanoyloxy)ethyl pent-4-ynoate 、 6A-叠氮基-6A-脱氧-β-环糊精 在 五甲基二乙烯三胺 、 copper(I) bromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  Voltage-Responsive Vesicles Based on Orthogonal Assembly of Two Homopolymers

  摘要：

  Two end-decorated homopolymers, poly(styrene)-beta-cyclodextrin (PS-beta-CD) and poly(ethylene oxide)-ferrocene (PEO-Fc), can orthogonally self-assemble into a supramolecular diblock copolymer (PS-beta-CD/PEO-Fc) in aqueous solutions based on the terminal host guest interactions. These assemblies can further form supramolecular vesicles, and their assembly and disassembly behaviors can be reversibly switched by voltage through the reversible association and disassociation of the middle supramolecular connection. The vesicles possess an unprecedented property that their assembly or disassembly speed can be controlled by the applied voltage strength. Luminescence spectroscopy demonstrates that the vesicles act as nanocapsules carrying molecules within their hollow cavities and that the external voltage strength accurately regulates the drug release time.

  DOI：

  10.1021/ja1027502
• 作为产物：
  描述：

  炔丙基脲 、 ATRP 羟基引发剂 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以89%的产率得到2-(2-bromo-2-methylpropanoyloxy)ethyl pent-4-ynoate
  参考文献：
  名称：

  Voltage-Responsive Vesicles Based on Orthogonal Assembly of Two Homopolymers

  摘要：

  Two end-decorated homopolymers, poly(styrene)-beta-cyclodextrin (PS-beta-CD) and poly(ethylene oxide)-ferrocene (PEO-Fc), can orthogonally self-assemble into a supramolecular diblock copolymer (PS-beta-CD/PEO-Fc) in aqueous solutions based on the terminal host guest interactions. These assemblies can further form supramolecular vesicles, and their assembly and disassembly behaviors can be reversibly switched by voltage through the reversible association and disassociation of the middle supramolecular connection. The vesicles possess an unprecedented property that their assembly or disassembly speed can be controlled by the applied voltage strength. Luminescence spectroscopy demonstrates that the vesicles act as nanocapsules carrying molecules within their hollow cavities and that the external voltage strength accurately regulates the drug release time.

  DOI：

  10.1021/ja1027502