3-(3-三氟甲基苯氧基)-苯胺 | 625106-28-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(3-三氟甲基苯氧基)-苯胺
• 英文名称: 3-(3-(trifluoromethyl)phenoxy)aniline
• 英文别名: 3-[3-(trifluoromethyl)phenoxy]aniline
• CAS: 625106-28-7
• 化学式: C₁₃H₁₀F₃NO
• mdl: MFCD06656963
• 分子量: 253.224
• InChiKey: MSUIHKNRWGRHJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  三氟甲磺酸酐 、 3-(3-三氟甲基苯氧基)-苯胺 在 三乙胺 作用下， 以 氯仿 为溶剂， 生成 3-(3-Trifluormethylphenoxi)-trifluormethansulfonanilid
  参考文献：
  名称：

  CH557804

  摘要：

  公开号：
• 作为产物：
  描述：

  间氟硝基苯 在 palladium on activated charcoal 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 3-(3-三氟甲基苯氧基)-苯胺
  参考文献：
  名称：

  [EN] INHIBITORS OF YAP/TAZ-TEAD ONCOPROTEINS, SYNTHESIS AND USE THEREOF
  [FR] INHIBITEURS D'ONCOPROTÉINES YAP/TAZ-TEAD, LEUR SYNTHÈSE ET LEUR UTILISATION

  摘要：

  本文揭示了合成和使用针对转录增强因子TEF-1 (TEAD1)的共价抑制剂，可用于治疗胶质母细胞瘤、胃癌、结直肠癌、胰腺导管腺癌（PDAC）和恶性胸膜间皮瘤（MPM）等癌症。此外，本文还揭示了包括TEAD1抑制剂的药物组合物以及使用该药物组合物治疗癌症的方法。

  公开号：

  WO2022006548A1

文献信息

• Organosulfur inhibitors of tyrosine phosphatases
  申请人：Wang Jing

  公开号：US20050065118A1

  公开（公告）日：2005-03-24

  Organosulfur modulators of tyrosine phosphatases and their use in the treatment of disease are disclosed.

  本发明揭示了酚磷酸酶的有机硫调节剂及其在治疗疾病中的应用。
• Orthogonal Cu- and Pd-Based Catalyst Systems for the O- and N-Arylation of Aminophenols
  作者：Debabrata Maiti、Stephen L. Buchwald

  DOI：10.1021/ja9081815

  日期：2009.12.2

  O- or N-arylated aminophenol products constitute a common structural motif in various potentially useful therapeutic agents and/or drug candidates. We have developed a complementary set of Cu- and Pd-based catalyst systems for the selective O- and N-arylation of unprotected aminophenols using aryl halides. Selective O-arylation of 3- and 4-aminophenols is achieved with copper-catalyzed methods employing picolinic acid or CyDMEDA, trans-N,N'-dimethyl-1,2-cyclohexanediamine, respectively, as the ligand. The selective formation of N-arylated products of 3- and 4-aminophenols can be obtained with BrettPhos precatalyst, a biarylmonophosphine-based palladium catalyst. 2-Aminophenol can be selectively N-arylated with CuI, although no system for the selective O-arylation could be found. Coupling partners with diverse electronic properties and a variety of functional groups can be selectively transformed under these conditions.
• DE2118190
  申请人：——

  公开号：——

  公开（公告）日：——
• Two classes of p38α MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes
  作者：Enrique L. Michelotti、Kristofer K. Moffett、Duyan Nguyen、Martha J. Kelly、Rupa Shetty、Xiaomei Chai、Katrina Northrop、Variketta Namboodiri、Brandon Campbell、Gary A. Flynn、Ted Fujimoto、Frank P. Hollinger、Marina Bukhtiyarova、Eric B. Springman、Michael Karpusas

  DOI：10.1016/j.bmcl.2005.08.038

  日期：2005.12

  Two new classes of diphenylether inhibitors of p38alpha MAP kinase are described. Both chemical classes are based on a common diphenylether core that is identified by simulated fragment annealing as one of the most favored chemotypes within a prominent hydrophobic pocket of the p38alpha ATP-binding site. In the fully elaborated molecules, the diphenylether moiety acts as an anchor occupying the deep pocket, while polar extensions make specific interactions with either the adenine binding site or the phosphate binding site of ATP. The synthesis, crystallographic analysis, and biological activity of these p38alpha inhibitors are discussed.
• Aromatic diamine and polyimide, and preparation process of same
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0565352B1

  公开（公告）日：1997-07-30