2-[3-[Benzyl-[2-[diethoxy(oxido)phosphaniumyl]ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate | 870544-50-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[3-[Benzyl-[2-[diethoxy(oxido)phosphaniumyl]ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate
• 英文别名: 2-[3-[benzyl-[2-[diethoxy(oxido)phosphaniumyl]ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate
• CAS: 870544-50-6
• 化学式: C₂₂H₃₄NO₇P
• 分子量: 455.488
• InChiKey: GDLTWVQFGLPYBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  31
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  97.4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[3-[Benzyl-[2-[diethoxy(oxido)phosphaniumyl]ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate 在 三甲基溴硅烷 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 49.5h， 生成 2-[Benzyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]amino]ethylphosphonic acid
  参考文献：
  名称：

  A Versatile Synthetic Route to Phosphonate-Functional Monomers, Oligomers, Silanes, and Hybrid Nanoparticles

  摘要：

  The highly selective single Michael addition of diethyl vinylphosphonate to alkylamines represents a very versatile synthetic route affording a large variety of novel multifunctional phosphonates including aminoalkylphosphonates, phosphonate functional silanes, and phosphonate-functionalized acrylic monomers. The hydrolysis of the phosphonate group results in a phosphonic acid functional monomer which can be used as component of dental composites exhibiting improved filler-matrix interaction. The sol-gel reaction of the phosphonate-functional silanes produced novel phosphonate-functional organic/inorganic hybrid nanoparticles with particle sizes ranging from 30 to 100 nm.

  DOI：

  10.1021/ma047526e
• 作为产物：
  描述：

  乙烯基磷酸二乙酯 以 乙醇 为溶剂， 反应 74.0h， 生成 2-[3-[Benzyl-[2-[diethoxy(oxido)phosphaniumyl]ethyl]amino]propanoyloxy]ethyl 2-methylprop-2-enoate
  参考文献：
  名称：

  A Versatile Synthetic Route to Phosphonate-Functional Monomers, Oligomers, Silanes, and Hybrid Nanoparticles

  摘要：

  The highly selective single Michael addition of diethyl vinylphosphonate to alkylamines represents a very versatile synthetic route affording a large variety of novel multifunctional phosphonates including aminoalkylphosphonates, phosphonate functional silanes, and phosphonate-functionalized acrylic monomers. The hydrolysis of the phosphonate group results in a phosphonic acid functional monomer which can be used as component of dental composites exhibiting improved filler-matrix interaction. The sol-gel reaction of the phosphonate-functional silanes produced novel phosphonate-functional organic/inorganic hybrid nanoparticles with particle sizes ranging from 30 to 100 nm.

  DOI：

  10.1021/ma047526e