| 1065142-18-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• CAS: 1065142-18-8
• 化学式: C₁₁H₈N₆O₂
• 分子量: 256.224
• InChiKey: BBKHCUZHYOUGRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.59
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  105.56
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 5-(3,5-bis(3,5-di-tert-butylbenzyloxy)-4-(4-(tetrahydro-2H-pyran-2-yloxy)butoxy)benzyloxy)benzene-1,3-diamine 以 氯仿 为溶剂， 反应 12.0h， 以84.5%的产率得到1,1'-(5-(3,5-bis(3,5-di-tert-butylbenzyloxy)-4-(4-(tetrahydro-2H-pyran-2-yloxy)butoxy)benzyloxy)-1,3-phenylene)bis(3-(4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)urea)
  参考文献：
  名称：

  Bis-ureidodeazapterin (Bis-DeAP) as a general route to supramolecular star polymers

  摘要：

  Supramolecular recognition unit Bis-DeAP, 1, containing two high affinity hydrogen-bonding acceptor-acceptor-donor-donor (AADD) arrays was designed to self-assemble into cyclic assemblies. It was prepared through a highly scalable synthesis and was further functionalized with 2-bromo-2-methylpropanoyl bromide and used to initiate the polymerization of methylmethacrylate (MMA). Bis-DeAPPMMA polymers quantitatively self-assembled into star polymers in toluene. In DMF Bis-DeAP-PMMA forms a mixture of star polymers and unassembled polymers. Bis-DeAP was also functionalized with polyethylene glycol (PEG) polymers. The Bis-DeAP-PEG polymers formed star polymers in DMF; however, higher molecular weight polymeric assembles that varied with concentration were observed in water. Mixing studies in toluene indicated that the self-assembled star polymers are kinetically stable and resist mixing even at elevated temperatures. In DMF, kinetically controlled structures are initially observed, however, mixing occurs at a faster rate and assembled star polymers show a decrease in polydispersity index (PDI) over time. In addition, Bis-DeAP functionalized PS and PMMA were mixed in DMF to generate a star copolymer through self-assembly. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.076
• 作为产物：
  描述：

  2-氨基吡啶并[2,3-d]嘧啶-4(1H)-酮 、 N,N'-羰基二咪唑 以 四氢呋喃 为溶剂， 以69%的产率得到
  参考文献：
  名称：

  Bis-ureidodeazapterin (Bis-DeAP) as a general route to supramolecular star polymers

  摘要：

  Supramolecular recognition unit Bis-DeAP, 1, containing two high affinity hydrogen-bonding acceptor-acceptor-donor-donor (AADD) arrays was designed to self-assemble into cyclic assemblies. It was prepared through a highly scalable synthesis and was further functionalized with 2-bromo-2-methylpropanoyl bromide and used to initiate the polymerization of methylmethacrylate (MMA). Bis-DeAPPMMA polymers quantitatively self-assembled into star polymers in toluene. In DMF Bis-DeAP-PMMA forms a mixture of star polymers and unassembled polymers. Bis-DeAP was also functionalized with polyethylene glycol (PEG) polymers. The Bis-DeAP-PEG polymers formed star polymers in DMF; however, higher molecular weight polymeric assembles that varied with concentration were observed in water. Mixing studies in toluene indicated that the self-assembled star polymers are kinetically stable and resist mixing even at elevated temperatures. In DMF, kinetically controlled structures are initially observed, however, mixing occurs at a faster rate and assembled star polymers show a decrease in polydispersity index (PDI) over time. In addition, Bis-DeAP functionalized PS and PMMA were mixed in DMF to generate a star copolymer through self-assembly. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.076