2-(2-ethoxyphenylamino)-5-nitrobenzoic acid

• 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: 2-(2-ethoxyphenylamino)-5-nitrobenzoic acid
• 英文别名: 5-nitro-2-(2-ethoxy-phenylamino)benzoic acid；2-(2-Ethoxyanilino)-5-nitrobenzoic acid
• 化学式: C₁₅H₁₄N₂O₅
• 分子量: 302.287
• InChiKey: XFDUPOYVYHAIJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 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：
  104
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氯-5-硝基苯甲酸 、 氨基苯乙醚 反应 0.25h， 以78%的产率得到2-(2-ethoxyphenylamino)-5-nitrobenzoic acid
  参考文献：
  名称：

  Catalyst-Free Microwave-Assisted Amination of 2-Chloro-5-nitrobenzoic Acid

  摘要：

  The synthesis of N-substituted 5-nitroanthranilic acid derivatives 3a-w was achieved by a new, mild, microwave-assisted, regioselective amination reaction of 5-nitro-2-chlorobenzoic acid (1a) with a diverse range of aliphatic and aromatic amines 2a-w without added solvent or catalyst. Up to > 99% isolated yield was obtained within 5-30 min at 80-120 degrees C. The reaction, which is suitable for upscaling, yielded new compounds that are of considerable interest as useful building blocks and as potential drugs.

  DOI：

  10.1021/jo070731i

文献信息

• NOVEL P2Y12 RECEPTOR ANTAGONISTS
  申请人：Müller Christa E.

  公开号：US20100210654A1

  公开（公告）日：2010-08-19

  The present invention relates to novel P2Y 12 receptor antagonists useful for treating, alleviating and/or preventing diseases and disorders related to P2Y 12 receptor function as well as pharmaceutical compositions comprising such compounds and methods for preparing such compounds. The present invention is further directed to the use of these compounds, alone or in combination with other therapeutic agents, for the alleviation, prevention and/or treatment of diseases and disorders, especially the use as antithrombotic agents for inhibiting platelet aggregation.

  本发明涉及一种新的P2Y12受体拮抗剂，可用于治疗、缓解和/或预防与P2Y12受体功能相关的疾病和障碍，以及包含这些化合物的制药组合物和制备这些化合物的方法。本发明进一步涉及使用这些化合物，单独或与其他治疗剂联合使用，以缓解、预防和/或治疗疾病和障碍，特别是用作抗血栓药物来抑制血小板聚集。
• [EN] NOVEL P2Y12 RECEPTOR ANTAGONISTS<br/>[FR] NOUVEAUX ANTAGONISTES DU RÉCEPTEUR P2Y12
  申请人：UNIV BONN

  公开号：WO2008107211A2

  公开（公告）日：2008-09-12

  [EN] The present invention relates to novel P2Y₁₂ receptor antagonists useful for treating, alleviating and/or preventing diseases and disorders related to P2Y₁₂ receptor function as well as pharmaceutical compositions comprising such compounds and methods for preparing such compounds. The present invention is further directed to the use of these compounds, alone or in combination with other therapeutic agents, for the alleviation, prevention and/or treatment of diseases and disorders, especially the use as antithrombotic agents for inhibiting platelet aggregation.
  [FR] La présente invention concerne de nouveaux antagonistes du récepteur P2Y₁₂ utiles pour traiter, soulager et/ou prévenir des maladies et des états pathologiques liés à la fonction du récepteur P2Y₁₂ ainsi que des compositions pharmaceutiques comprenant ces composés et des procédés de préparation de ces composés. La présente invention concerne en outre l'utilisation de ces composés, seuls ou en combinaison avec d'autres agents thérapeutiques, pour soulager, prévenir et/ou traiter des maladies et états pathologiques, en particulier l'utilisation d'agents anti-thrombotiques pour inhiber l'agrégation plaquettaire.
• Catalyst-Free Microwave-Assisted Amination of 2-Chloro-5-nitrobenzoic Acid
  作者：Younis Baqi、Christa E. Müller

  DOI：10.1021/jo070731i

  日期：2007.7.1

  The synthesis of N-substituted 5-nitroanthranilic acid derivatives 3a-w was achieved by a new, mild, microwave-assisted, regioselective amination reaction of 5-nitro-2-chlorobenzoic acid (1a) with a diverse range of aliphatic and aromatic amines 2a-w without added solvent or catalyst. Up to > 99% isolated yield was obtained within 5-30 min at 80-120 degrees C. The reaction, which is suitable for upscaling, yielded new compounds that are of considerable interest as useful building blocks and as potential drugs.