1,1'-(heptane-1,7-diyl)bis(3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea) compound with 12,15,32,35,52,55,72,75,92,95-decamethoxy-1,3,5,7,9(1,4)-pentabenzenacyclodecaphane (1:1) | 1398113-99-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1'-(heptane-1,7-diyl)bis(3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea) compound with 12,15,32,35,52,55,72,75,92,95-decamethoxy-1,3,5,7,9(1,4)-pentabenzenacyclodecaphane (1:1)
• CAS: 1398113-99-9
• 化学式: C₁₉H₂₈N₈O₄*C₄₅H₅₀O₁₀
• 分子量: 1183.37
• InChiKey: WSKKGXSIOYEIAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  86.0
• 可旋转键数：
  20.0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  266.06
• 氢给体数：
  6.0
• 氢受体数：
  16.0

反应信息

• 作为产物：
  描述：

  1,7-二氨基庚烷 以 氯仿 为溶剂， 反应 51.0h， 生成 1,1'-(heptane-1,7-diyl)bis(3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea) compound with 12,15,32,35,52,55,72,75,92,95-decamethoxy-1,3,5,7,9(1,4)-pentabenzenacyclodecaphane (1:1)
  参考文献：
  名称：

  Novel Pillar[5]arene-Based Dynamic Polyrotaxanes Interlocked by the Quadruple Hydrogen Bonding Ureidopyrimidinone Motif

  摘要：

  Novel dynamic polyrotaxanes constructed from pillar[5]arenes as wheels and diamines as axles have been successfully synthesized in good yield using quadruple hydrogen bonding ureidopyrimidinone (UPy) motifs, which play a dual role as the end-capping and interlocking units. The present study is the first example of noncovalent bonded dynamic polyrotaxanes constructed by multiple hydrogen bonding interactions.

  DOI：

  10.1021/ol302149t