2-(((6-(3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl) ureido)hexyl)carbamoyl)oxy)ethyl methacrylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(((6-(3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl) ureido)hexyl)carbamoyl)oxy)ethyl methacrylate
• 英文别名: 2-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexylcarbamoyloxy]ethyl 2-methylprop-2-enoate
• 化学式: C₁₉H₂₉N₅O₆
• 分子量: 423.469
• InChiKey: KGOWYXKWTONQQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  30
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  147
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(((6-(3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl) ureido)hexyl)carbamoyl)oxy)ethyl methacrylate 、 2-硝基苄氯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(((6-(3-(4-methyl-6-((2-nitrobenzyl)oxy)pyrimidin-2-yl)ureido)hexyl)carbamoyl)oxy)ethyl methacrylate
  参考文献：
  名称：

  Toward Controlling Folding in Synthetic Polymers: Fabricating and Characterizing Supramolecular Single-Chain Nanoparticles

  摘要：

  We discuss in detail our facile method for producing supramolecular polymeric nanoparticles from the collapse of single polymer chains. A new family of poly(methyl methacrylate)-based nanoparticles confirm that our method is general and can be easily tuned toward a variety of applications. Thorough AFM characterization elucidates the conditions required to visualize single particles as well as complex assmeblies of particles mediated by the evaporation of solvent. AFM studies also indicate that the intramolecular collapse resembles the cooperative folding process witnessed in biomacromolecules and that the particles possess a complex morphology that implies the internal organization of the UPy dimers used to induce the intramolecular collapse. Thermal studies support these observations in addition to confirming the applicability of this system in the fabrication of processable high-performance supramolecular materials.

  DOI：

  10.1021/ma902393h
• 作为产物：
  描述：

  甲基丙烯酸羟乙酯 、 2-(6-isocyanatohexylaminocarbonylamino)-6-methyl-4-pyrimidinone 在 dibutyltin dilaurate 作用下， 以 氯仿 为溶剂， 反应 4.0h， 生成 2-(((6-(3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl) ureido)hexyl)carbamoyl)oxy)ethyl methacrylate
  参考文献：
  名称：

  [EN] MONOMERS CAPABLE OF FORMING FOUR HYDROGEN BRIDGES AND SUPRAMOLECULAR POLYMERS FORMED BY COPOLYMERIZATION OF THESE MONOMERS WITH REGULAR MONOMERS
  [FR] MONOMERES POUVANT FORMER QUATRE LIAISONS HYDROGENE ET POLYMERES SUPRAMOLECULAIRES FORMES PAR COPOLYMERISATION DE CES MONOMERES AVEC DES MONOMERES REGULIERS

  摘要：

  该发明涉及通过共聚合含有四重氢键结合基团的单体与一个或多个选择的单体，合成含有自互补四重氢基团的聚合物。由于聚合物链之间存在基于多重氢键相互作用（超分子相互作用）的额外物理相互作用，所得到的聚合物表现出独特的新特性。

  公开号：

  WO2004016598A1

文献信息

• [EN] MONOMERS CAPABLE OF FORMING FOUR HYDROGEN BRIDGES AND SUPRAMOLECULAR POLYMERS FORMED BY COPOLYMERIZATION OF THESE MONOMERS WITH REGULAR MONOMERS<br/>[FR] MONOMERES POUVANT FORMER QUATRE LIAISONS HYDROGENE ET POLYMERES SUPRAMOLECULAIRES FORMES PAR COPOLYMERISATION DE CES MONOMERES AVEC DES MONOMERES REGULIERS
  申请人：SUPRAPOLIX BV

  公开号：WO2004016598A1

  公开（公告）日：2004-02-26

  The invention relates to the synthesis of polymers containing self-complementary quadruple hydrogen groups by copolymerizing monomers containing a quadruple hydrogen bonding group with one or more monomers of choice. The resulting polymers show unique new characteristics due to the presence of additional physical interactions between the polymer chains that are based on multiple hydrogen bonding interactions (supramolecular interactions).

  该发明涉及通过共聚合含有四重氢键结合基团的单体与一个或多个选择的单体，合成含有自互补四重氢基团的聚合物。由于聚合物链之间存在基于多重氢键相互作用（超分子相互作用）的额外物理相互作用，所得到的聚合物表现出独特的新特性。
• EP1534688B1
  申请人：——

  公开号：EP1534688B1

  公开（公告）日：2014-10-29
• [EN] SULFUR-CONTAINING COMPOUND AND HIGH MOLECULAR WEIGHT MATERIAL<br/>[FR] COMPOSÉ CONTENANT DU SOUFRE ET MATÉRIAU À HAUT POIDS MOLÉCULAIRE<br/>[JA] 硫黄含有化合物及び高分子材料
  申请人：[en]OSAKA UNIVERSITY;[ja]国立大学法人大阪大学

  公开号：WO2022239780A1

  公开（公告）日：2022-11-17

  安定性に優れる新規な硫黄含有化合物及び該硫黄含有化合物を含む高分子材料を提供する。　本発明に係る硫黄含有化合物であって、分子中に下記式（１） －（Ｓ）ｎ－　（１） （式（１）中、ｍは２以上の数を表す）で表される第１の部位と、他の分子及び／又はイオンと相互作用可能な官能基Ｆを含む第２の部位とを少なくとも１個ずつ有し、前記第２の部位は前記第１の部位の硫黄と共有結合している。本発明に係る硫黄含有化合物は、従来にない新規な硫黄ポリマーである。
• Toward Controlling Folding in Synthetic Polymers: Fabricating and Characterizing Supramolecular Single-Chain Nanoparticles
  作者：Erik B. Berda、E. Johan Foster、E. W. Meijer

  DOI：10.1021/ma902393h

  日期：2010.2.9

  We discuss in detail our facile method for producing supramolecular polymeric nanoparticles from the collapse of single polymer chains. A new family of poly(methyl methacrylate)-based nanoparticles confirm that our method is general and can be easily tuned toward a variety of applications. Thorough AFM characterization elucidates the conditions required to visualize single particles as well as complex assmeblies of particles mediated by the evaporation of solvent. AFM studies also indicate that the intramolecular collapse resembles the cooperative folding process witnessed in biomacromolecules and that the particles possess a complex morphology that implies the internal organization of the UPy dimers used to induce the intramolecular collapse. Thermal studies support these observations in addition to confirming the applicability of this system in the fabrication of processable high-performance supramolecular materials.