p-Vinylbenzazid | 13287-86-0

• 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: p-Vinylbenzazid
• 英文别名: 4-vinylbenzoyl azide；4VBA；4-Ethenylbenzoyl azide
• CAS: 13287-86-0
• 化学式: C₉H₇N₃O
• 分子量: 173.174
• InChiKey: WDAHACUQVGXDRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  p-Vinylbenzazid 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 p-Vinylphenyl-isocyanat
  参考文献：
  名称：

  作为光反应性聚合物的聚合1-亚氨基吡啶鎓叶立德的合成

  摘要：

  研究了聚合成1-亚氨基吡啶鎓碘化物作为新的光反应性聚合物结构的两种合成途径。在第一种方法中，通过自由基聚合实现了新合成的含1-亚氨基吡啶鎓叶立德的单体的聚合，生成了它们的聚合物类似物。或者，通过在反应性前体聚合物上进行聚合物类似反应，合成反应性前体聚合物并将其转化为相应的1-亚氨基吡啶鎓内鎓盐聚合物。含五氟苯基酯的聚合物和新合成的光反应性胺以及聚（4-乙烯基苯甲酰基叠氮化物）与光反应性醇的反应可实现反应基团的定量转化。检查通过这两种途径获得的聚合物的光反应产物和在溶液中以及在聚合物薄膜中的动力学。辐照前后聚合物膜上水的接触角测量结果表明，聚合物的亲水性发生了显着变化。©2010 Wiley Periodicals，Inc. J Polym Sci A部分：Polym Chem 48：832–844，2010年

  DOI：

  10.1002/pola.23832
• 作为产物：
  描述：

  4-乙烯基苯甲酸 在 sodium azide 、 三乙胺 作用下， 以 丙酮 为溶剂， 反应 1.5h， 生成 p-Vinylbenzazid
  参考文献：
  名称：

  A Novel Approach to the Molecular Imprinting of Polychlorinated Aromatic Compounds

  摘要：

  The aim of this investigation was to determine whether relatively weak interactions, such as hydrogen bonds to aromatic chlorine atoms and interactions involving aromatic pi electrons could be exploited within artificial receptors, constructed using the technique of molecular imprinting. For the purposes of this investigation we chose 2,3,7,8-tetrachlorodibenzodioxin (TCDD)as the model target. Imprinted polymers have been prepared with two new templates designed to create recognition sites for TCDD. The first of these, the bis-N-(4-vinylphenyl)urea derivative of 2,8-dichloro-3,7-diaminodibenzodioxin, employed a carbonyl spacer to introduce aromatic amines into the polymer after reductive cleavage of the template. The second, N-(2-(3,7,8-trichlorodibenzodioxinyl))-2-methacryloyloxybenzamide, incorporated a salicylic acid spacer and introduced a methacrylic acid residue into the polymer following hydrolysis. Both amine and acid groups were positioned in such a way as to interact with TCDD through the formation of weak hydrogen bonds to aromatic chlorine atoms. A second recognition element was introduced into the binding sites by the inclusion of a polymerizable, electron-rich, aromatic ether capable of forming pi-pi interactions with the electron-deficient dioxin molecule. Polymers imprinted with either template showed significantly higher uptake of TCDD than the corresponding nonimprinted controls, even at concentrations as low as 2 nM.

  DOI：

  10.1021/ja9818295

文献信息

• Pd-Catalyzed Carbonylation of Acyl Azides
  作者：Zongyang Li、Shiyang Xu、Baoliang Huang、Chenhui Yuan、Wenxu Chang、Bin Fu、Lei Jiao、Peng Wang、Zhenhua Zhang

  DOI：10.1021/acs.joc.9b01048

  日期：2019.8.2

  provides facile access to acyl ureas. In addition, a mechanistic study was carried out by both experiment and DFT calculation. Control experiments and kinetic study revealed that the real active palladium species were Pd(0). The result of kinetic study suggested that palladium catalyst, azide, and CO were all involved in the turnover-limiting step except for amine. Further DFT study suggested that an

  近年来，已广泛开发了Pd催化的叠氮化物与CO反应生成异氰酸酯中间体的方法。然而，尚未报道敏感的酰基叠氮化物的催化羰基化。在本文中，我们报道了酰基叠氮化物的简单Pd催化羰基化反应，具有广泛的底物范围，高效率以及在温和条件下的简单操作，可轻松获得酰基脲。此外，还通过实验和DFT计算进行了机理研究。对照实验和动力学研究表明，真正的活性钯物质为Pd（0）。动力学研究的结果表明，除胺外，钯催化剂，叠氮化物和一氧化碳都参与了营业额限制步骤。
• Selective covalent-binding compounds having therapeutic diagnostic and analytical applications
  申请人：——

  公开号：US20040121405A1

  公开（公告）日：2004-06-24

  Novel compounds are provided having enhanced affinity for a desired, preselected, target substance (a small molecule; a macromolecule such as a protein, a carbohydrate, a nucleic acid, a cell, a viral particle, etc.) by modification with chemical groups that allow these substances to form strong bonds, such as irreversible covalent bonds, with the desired target substance. These qualities of tight, specific binding are reminiscent of antibody-like affinity; hence the new substances are termed COBALT, an acronym for Covalent-Binding Antibody-Like Trap. The present invention includes a process wherein a target species is chosen and then, by synthetic chemical procedures and modifications, novel substances (COBALTs) are obtained that exhibit selective and covalent binding to the preselected target species. The applications of the COBALTs include diagnostic, analytical, therapeutic and industrial applications.

  本发明提供了一种新型化合物，通过化学基团的修饰，使这些物质与所需的、预选的目标物质（如小分子、蛋白质、碳水化合物、核酸、细胞、病毒颗粒等）具有增强的亲和力，从而形成强大的结合，如不可逆的共价结合。这种紧密、特异性的结合特性类似于抗体的亲和力；因此，这些新物质被称为COBALT，是Covalent-Binding Antibody-Like Trap的缩写。本发明包括一种过程，选定目标物种，然后通过合成化学程序和修饰，获得表现出选择性和共价结合的新型物质（COBALT）。COBALTs的应用包括诊断、分析、治疗和工业应用。
• EP1385988A2
  申请人：——

  公开号：EP1385988A2

  公开（公告）日：2004-02-04
• EP1385988A4
  申请人：——

  公开号：EP1385988A4

  公开（公告）日：2008-04-09
• [EN] SELECTIVE COVALENT-BINDING COMPOUNDS HAVING THERAPEUTIC DIAGNOSTIC AND ANALYTICAL APPLICATIONS<br/>[FR] COMPOSES SELECTIFS A LIAISON COVALENTE AYANT DES APPLICATIONS THERAPEUTIQUES, DIAGNOSTIQUES ET ANALYTIQUES
  申请人：SEMOREX INC

  公开号：WO2002083708A2

  公开（公告）日：2002-10-24

  Novel compounds are provided having enhanced affinity for a desired, preselected, target substance (a small molecule; a macromolecule such as a protein, a carbohydrate, a nucleic acid, a cell, a viral particle, etc.) by modification with chemical groups that allow these substances to form stong bonds, such as irreversible covalent bonds, with the desired target substance. These qualities of tight, specific binding are eminiscent of antibody-like affinity; hence the new substances are termed COBALT, and acronym for Covalent-Binding Antibody-Like Trap. The present invention includes a process wherein a target species is chosen and then, by synthetic chemical procedures and modifications, novel substances (COBALTs) are obtained that exhibit selective and covalent binding to the preselected target species. The applications of the COBALTs include diagnostic, analytical, therapeutic and industrial applications.