| 1598376-26-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1598376-26-1
• 化学式: C₅₀H₈₀BrN₃O₃₆
• 分子量: 1379.09
• InChiKey: NKCDDJGRCRMOKY-IHHCOHTPSA-N

物化性质

• 密度：
  2.11±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -13.67
• 重原子数：
  90.0
• 可旋转键数：
  12.0
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  590.83
• 氢给体数：
  20.0
• 氢受体数：
  39.0

反应信息

• 作为产物：
  描述：

  试剂3-Butynyl2-bromoisobutyrate 、 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， 反应 35.0h， 以88%的产率得到
  参考文献：
  名称：

  Synthesis and Self-Assembly of CO₂–Temperature Dual Stimuli-Responsive Triblock Copolymers

  摘要：

  Poly(N,N-dimethylaminoethyl methacrylate) (PDMAEMA) with a beta-cyclodextrin (beta-CD) at the chain end was synthesized via atom transfer radical polymerization (ATRP); poly(epsilon-caprolactone) (PCL) with a -C=C- segment and an adamantane (Ada) group at two ends, respectively, was prepared through ring-opening polymerization (ROP), and poly(N-isopropylacrylamide) (PNIPAM) with a -S-C(S)-S- segment, which can be converted into a thiol group, was yielded by reversible addition-fragmentation chain transfer polymerization (RAFT). A supramolecular triblock stimuli-responsive copolymer PNIPAM-b-PCL-b-PDMAEMA having good biocompatibility with PNIPAM and PDMAEMA hydrophilic segments and PCL hydrophobic segment was constructed by thiol-ene Michael addition and host- guest interaction. The triblock copolymer could self-assemble into vesicles and respond to carbon dioxide (CO2) gas and temperature reversibly. Under the stimulation of CO2, the vesicular assemblies swelled obviously; while raising the temperature from 25 to 40 degrees C, the assemblies displayed a conversion between vesicles and spherical micelles.

  DOI：

  10.1021/ma5001404