3-{2-[4-(2-Hydroxyethyl)phenyl]hydrazinylidene}-6-oxocyclohexa-1,4-diene-1-carboxylic acid | 874907-05-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 3-{2-[4-(2-Hydroxyethyl)phenyl]hydrazinylidene}-6-oxocyclohexa-1,4-diene-1-carboxylic acid
• 英文别名: 2-hydroxy-5-[[4-(2-hydroxyethyl)phenyl]diazenyl]benzoic acid
• CAS: 874907-05-8
• 化学式: C₁₅H₁₄N₂O₄
• 分子量: 286.287
• InChiKey: XBBMIRURZWRMLJ-UHFFFAOYSA-N

物化性质

• 沸点：
  557.7±50.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-{2-[4-(2-Hydroxyethyl)phenyl]hydrazinylidene}-6-oxocyclohexa-1,4-diene-1-carboxylic acid 在 potassium permanganate 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 4.0h， 生成 5-(4-carboxymethyl-phenylazo)-2-hydroxy-benzoic acid
  参考文献：
  名称：

  [EN] SYNTHEIS OF AZO BONDED IMMUNOREGULATORY COMPOUNDS
  [FR] SYNTHESE DE COMPOSES IMMUNOREGULATEURS A LIAISON AZO

  摘要：

  公开号：

  WO2006014549A3
• 作为产物：
  描述：

  sodium salicylate 、 在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 0.5h， 生成 3-{2-[4-(2-Hydroxyethyl)phenyl]hydrazinylidene}-6-oxocyclohexa-1,4-diene-1-carboxylic acid
  参考文献：
  名称：

  [EN] SYNTHEIS OF AZO BONDED IMMUNOREGULATORY COMPOUNDS
  [FR] SYNTHESE DE COMPOSES IMMUNOREGULATEURS A LIAISON AZO

  摘要：

  公开号：

  WO2006014549A3

文献信息

• SYNTHESIS OF AZO BONDED IMMUNOREGULATORY COMPOUNDS
  申请人：Biocon Limited

  公开号：EP1773767B1

  公开（公告）日：2016-03-09
• Synthesis of Azo Bonded Immunoregulatory Compounds
  申请人：Riggs-Sauthier A. Jennifer

  公开号：US20080033153A1

  公开（公告）日：2008-02-07

  Methods are disclosed for preparing compounds of Formula I: where R 1 , R 3 , and R 4 are independently hydrogen or C 1 to C 4 alkyl, and R 2 is: where R 5 is selected from the group consisting of hydrogen and C 1 to C 4 alkyl, or where R 6 , R 7 and R 8 are independently hydrogen or C 1 to C 4 alkyl; or the esters or pharmacologically acceptable salts thereof. The methods can involve converting a suitably functionalized aniline compound to a diazonium salt (which aniline compound can be first formed by reduction of a nitrobenzene) and coupling the diazonium salt with a suitably functionalized benzene compound. The suitably functionalized aniline compound either includes a primary alcohol or aldehyde group, which is then oxidized to a carboxylic acid group, or includes a nitrile or amide group, which is hydrolyzed to a carboxylic acid group. The methods can also involve the direct coupling (via reduction of nitro groups to form an azo linkage) of suitably functionalized nitrobenzenes. The compounds and or their metabolites can be used to treat or prevent various diseases, particularly inflammatory conditions of the GI tract.
• US7932366B2
  申请人：——

  公开号：US7932366B2

  公开（公告）日：2011-04-26
• US8314214B2
  申请人：——

  公开号：US8314214B2

  公开（公告）日：2012-11-20
• US8754197B2
  申请人：——

  公开号：US8754197B2

  公开（公告）日：2014-06-17