1-phenyl-3-(pyren-1-ylmethyl)urea | 1240491-51-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-phenyl-3-(pyren-1-ylmethyl)urea
• CAS: 1240491-51-3
• 化学式: C₂₄H₁₈N₂O
• 分子量: 350.42
• InChiKey: WSLMQYPUHZERMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.91
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  41.13
• 氢给体数：
  2.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  1-芘甲胺 盐酸盐 、 异氰酸苯酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以46%的产率得到1-phenyl-3-(pyren-1-ylmethyl)urea
  参考文献：
  名称：

  A Healable Supramolecular Polymer Blend Based on Aromatic π−π Stacking and Hydrogen-Bonding Interactions

  摘要：

  An elastomeric, healable, supramolecular polymer blend comprising a chain-folding polyimide and a telechelic polyurethane with pyrenyl end groups is compatibilized by aromatic pi-pi stacking between the pi-electron-deficient diimide groups and the pi-electron-rich pyrenyl units. This interpolymer interaction is the key to forming a tough, healable, elastomeric material. Variable-temperature FTIR analysis of the bulk material also conclusively demonstrates the presence of hydrogen bonding, which complements the pi-pi stacking interactions. Variable-temperature SAXS analysis shows that the healable polymeric blend has a nanophase-separated morphology and that the X-ray contrast between the two types of domain increases with increasing temperature, a feature that is repeatable over several heating and cooling cycles. A fractured sample of this material reproducibly regains more than 95% of the tensile modulus, 91% of the elongation to break, and 77% of the modulus of toughness of the pristine material.

  DOI：

  10.1021/ja104446r