1,7-bis(ureidoethylenemethacrylate) heptylene

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,7-bis(ureidoethylenemethacrylate) heptylene
• 英文别名: 2-[7-[2-(2-Methylprop-2-enoyloxy)ethylcarbamoylamino]heptylcarbamoylamino]ethyl 2-methylprop-2-enoate
• 化学式: C₂₁H₃₆N₄O₆
• 分子量: 440.54
• InChiKey: WBSYCBKFOMFUDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  31
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,7-二氨基庚烷 、 甲基丙烯酸异氰基乙酯 以 四氢呋喃 为溶剂， 以61%的产率得到1,7-bis(ureidoethylenemethacrylate) heptylene
  参考文献：
  名称：

  Rational Design of New Polymerizable Oxyanion Receptors

  摘要：

  We report the synthesis of a library of new polymerizable functional monomers designed for complexing with the oxyanionic moiety of the chemotherapeutic drug methotrexate. The H-1 NMR and ITC binding studies allowed for the selection of receptors possessing the best association parameters. Subsequently, the design of a broad library of polymerizable moiety-specific binding monomers for the imprinting of dicarboxylate containing drugs was accomplished. Di(ureidoehylenemethacrylate)stilbene possesses the highest association properties and shows potential to act as a monomer in the molecularly imprinting technique to obtain photoswitchable cavities.

  DOI：

  10.1021/jo060088k