6-(3,5-dichlorophenyl)-3-amino-1,2-benzisoxazole | 268734-43-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: 6-(3,5-dichlorophenyl)-3-amino-1,2-benzisoxazole
• 英文别名: 6-(3,5-Dichlorophenyl)-1,2-benzisoxazol-3-amine；6-(3,5-dichlorophenyl)-1,2-benzoxazol-3-amine
• CAS: 268734-43-6
• 化学式: C₁₃H₈Cl₂N₂O
• 分子量: 279.125
• InChiKey: ADYJEXHHGAMXEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氟-4-溴苯腈 、 3,5-二氯苯硼酸 在 oxime resin 、 盐酸 、 三氟乙酸 作用下， 反应 2.0h， 生成 6-(3,5-dichlorophenyl)-3-amino-1,2-benzisoxazole
  参考文献：
  名称：

  在3-氨基苯并恶唑的固相合成中芳基肟连接基的合成相容性研究。

  摘要：

  描述了我们用于合成3-氨基苯并恶唑（使用Kaiser肟树脂1）的固相方法范围的进一步探索。讨论了碱，离去基团和溶剂对基于亲核芳族取代的树脂负载反应的影响。使代表性的芳基肟中间体经受通常用于保护基团去除的各种酸性条件，以建立该接头的酸稳定性曲线。用各种二氟和三氟苄腈评估区域选择性，在负载和环释放反应后，得到单苯并异恶唑产物。在酸稳定性和区域选择性研究过程中观察到的取代基作用表明，腈在肟的水解机理中起关键作用。最后，

  DOI：

  10.1021/jo991263i

文献信息

• AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF
  申请人：ELI LILLY AND COMPANY

  公开号：EP1135023A1

  公开（公告）日：2001-09-26
• EP1135023A4
  申请人：——

  公开号：EP1135023A4

  公开（公告）日：2003-03-05
• [EN] AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF<br/>[FR] COMPOSES AMINOBENZISOXAZOLE ET BANQUES CONTENANT DE TELS COMPOSES
  申请人：LILLY CO ELI

  公开号：WO2000027199A1

  公开（公告）日：2000-05-18

  This invention is directed to aminobenzisoxazole compounds, methods for producing such compounds and libraries thereof. This library is useful for screening the biological activity of the aminobenzisoxazole compounds.
• [EN] ARYLOXIME LINKERS IN THE SOLID-PHASE SYNTHESIS OF 3-AMINOBENZISOXAZOLES<br/>[FR] LIEURS D'ARYLOXIME DANS LA SYNTHESE DE LA PHASE SOLIDE DE 3-AMINOBENZISOXAZOLES
  申请人：LILLY CO ELI

  公开号：WO2000027627A1

  公开（公告）日：2000-05-18

  In its first aspect, the invention is directed to a solid support mediated method for the synthesis of diverse polycyclic heterocycles according to general formula (V). A second aspect of the invention is directed to a solid support bound intermediate compound that optionally can be derivatized before a cyclization and displacement procedure provides a product. The intermediate is preferably stable to a wide range of chemical conditions thus allowing, if desired, for the chemical derivatization of the intermediate. A third aspect of the invention is directed to a library of polycyclic heterocycle compounds where said library contains a plurality of diverse library compounds of general formula (V). A fourth aspect of the invention is directed to a method for the synthesis of a library of diverse polycyclic heterocycles by the general method described. A fifth aspect of the invention is directed to an assay kit for the identification of lead compounds of the library described therein.
• Studies on the Synthetic Compatibility of Aryloxime Linkers in the Solid-Phase Synthesis of 3-Aminobenzisoxazoles
  作者：Salvatore D. Lepore、Michael R. Wiley

  DOI：10.1021/jo991263i

  日期：2000.5.1

  products after loading and cyclorelease reactions. Substituent effects observed in the course of the acid stability and regioselectivity studies suggest that the nitrile plays a critical role in the oxime hydrolysis mechanism. Finally, to establish the compatibility of the aryloxime linker with a variety of useful on-resin synthetic transformations, functionalized substrates were loaded onto resin 1

  描述了我们用于合成3-氨基苯并恶唑（使用Kaiser肟树脂1）的固相方法范围的进一步探索。讨论了碱，离去基团和溶剂对基于亲核芳族取代的树脂负载反应的影响。使代表性的芳基肟中间体经受通常用于保护基团去除的各种酸性条件，以建立该接头的酸稳定性曲线。用各种二氟和三氟苄腈评估区域选择性，在负载和环释放反应后，得到单苯并异恶唑产物。在酸稳定性和区域选择性研究过程中观察到的取代基作用表明，腈在肟的水解机理中起关键作用。最后，