1-(4-vinylphenyl)-3-(1-naphthyl)urea

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(4-vinylphenyl)-3-(1-naphthyl)urea
• 英文别名: 1-(4-vinylphenyl)-3-(1-naphtyl)urea；1-(4-Ethenylphenyl)-3-naphthalen-1-ylurea
• 化学式: C₁₉H₁₆N₂O
• 分子量: 288.349
• InChiKey: ZVSGOXLDUTXYES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-乙烯苯胺 、 1-Alapha-萘异氰酸酯 以 乙醇 、 甲苯 为溶剂， 以81%的产率得到1-(4-vinylphenyl)-3-(1-naphthyl)urea
  参考文献：
  名称：

  Urea Host Monomers for Stoichiometric Molecular Imprinting of Oxyanions

  摘要：

  [GRAPHICS]A series of urea-based vinyl monomers was synthesized and investigated for their ability to function as polymerizable hosts for the molecular imprinting of N-Z-D- or L-glutamic acid in polar media (DMSO or DMF). The monomers were synthesized in one step from a polymerizable isocyanate and a nonpolymerizable amine or vice versa, with yields typically over 70%. Prior to polymerization their solution binding properties vis-a-vis tetrabutylammonium benzoate in DMSO were investigated by H-1 NMR, UV-vis and fluorescence monitored titrations. The affinities of the urea monomers for benzoate depended upon the substitution pattern of the urea, with all diaryl ureas exhibiting high affinity. EDMA-based imprinted polymers prepared in DMF or DMSO against Z-D-(or L)-glutamic acid using 2 equiv of the urea monomer and 2 equiv of base were able to recognize the imprinted dianion as well as larger molecules containing the glutamic acid substructure. The affinity, reflected in liquid chromatography retention data, correlated with the solution binding properties of the corresponding monomers.

  DOI：

  10.1021/jo048470p

文献信息

• Method for Producing Molecularly Imprinted Polymers for the Recognition of Target Molecules
  申请人：Sellergren Borje

  公开号：US20080038832A1

  公开（公告）日：2008-02-14

  The present invention relates to a method of preparing a molecularly imprinted polymer (MIP), which are used for the recognition of target molecules comprising: co-polymerising at least one functional monomer and at least one cross-linking monomer in the presence of at least one template, wherein oxyanions are used as template and the steric and/or electronic structure of the template is at least partly analogous to the target molecule. The target molecules may be nitro-containing compounds, such as nitroaromatic compounds, or lactones. MIPs selective for explosive nitro-aromatic substances may be produced without handling these hazardous compounds. The invention further relates to a method of determining if a sample contains nitro-containing compounds, such as nitroaromatic compounds, or lactones, MIPs selective for nitro-containing compounds and/or lactones, especially nitro-aromatic compounds and a kit, comprising a molecularly imprinted polymer selective for nitro-aromatic compounds and/or lactones. The invention also relates to use of isosteric and/or isoelectronic oxyanions for the production of MIPs for recognition of nitro-containing compounds, especially nitroaromatic compounds, and lactones.

  本发明涉及一种制备分子印迹聚合物（MIP）的方法，用于识别目标分子，包括：在至少一模板的存在下，共聚合至少一种功能单体和至少一种交联单体，其中氧阴离子被用作模板，模板的空间和/或电子结构至少部分类似于目标分子。目标分子可以是含硝基化合物，如硝基芳香化合物或内酯。可以制备出选择性对爆炸性硝基芳香物质的MIP，而无需处理这些危险化合物。本发明还涉及一种确定样品是否含有含硝基化合物，如硝基芳香化合物或内酯的方法，选择性对硝基含量化合物和/或内酯的MIP，特别是硝基芳香化合物以及包含分子印迹聚合物选择性针对硝基芳香化合物和/或内酯的试剂盒。本发明还涉及使用等电子和/或等构氧阴离子制备用于识别含硝基化合物，特别是硝基芳香化合物和内酯的MIP的方法。
• Urea Host Monomers for Stoichiometric Molecular Imprinting of Oxyanions
  作者：Andrew J. Hall、Panagiotis Manesiotis、Marco Emgenbroich、Milena Quaglia、Ersilia De Lorenzi、Börje Sellergren

  DOI：10.1021/jo048470p

  日期：2005.3.1

  [GRAPHICS]A series of urea-based vinyl monomers was synthesized and investigated for their ability to function as polymerizable hosts for the molecular imprinting of N-Z-D- or L-glutamic acid in polar media (DMSO or DMF). The monomers were synthesized in one step from a polymerizable isocyanate and a nonpolymerizable amine or vice versa, with yields typically over 70%. Prior to polymerization their solution binding properties vis-a-vis tetrabutylammonium benzoate in DMSO were investigated by H-1 NMR, UV-vis and fluorescence monitored titrations. The affinities of the urea monomers for benzoate depended upon the substitution pattern of the urea, with all diaryl ureas exhibiting high affinity. EDMA-based imprinted polymers prepared in DMF or DMSO against Z-D-(or L)-glutamic acid using 2 equiv of the urea monomer and 2 equiv of base were able to recognize the imprinted dianion as well as larger molecules containing the glutamic acid substructure. The affinity, reflected in liquid chromatography retention data, correlated with the solution binding properties of the corresponding monomers.
• Fluoride-selective chemosensor based on an anion imprinted fluorescent polymer
  作者：Delfina Quiñone、Marcelo Belluzzi、Julia Torres、Margarita Brovetto、Nicolás Veiga

  DOI：10.1016/j.poly.2022.116033

  日期：2022.10