2-(7-bromo-1-((2-chloro-5-(trifluoromethyl)phenyl)sulfonyl)-5-fluoro-1H-indol-3-yl)-N,N-dimethylethan-1-amine | 1019637-54-7

• 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-(7-bromo-1-((2-chloro-5-(trifluoromethyl)phenyl)sulfonyl)-5-fluoro-1H-indol-3-yl)-N,N-dimethylethan-1-amine
• CAS: 1019637-54-7
• 化学式: C₁₉H₁₆BrClF₄N₂O₂S
• 分子量: 527.765
• InChiKey: ASOMISCIOXUYQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.56
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  42.31
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(7-bromo-1-((2-chloro-5-(trifluoromethyl)phenyl)sulfonyl)-5-fluoro-1H-indol-3-yl)-N,N-dimethylethan-1-amine 在 四(三苯基膦)钯 potassium acetate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 3.0h， 生成 3-[2-(dimethylamino)ethyl]-5-fluoro-7-trifluoromethyl-10-chloro-1,2-benzothiazino[2,3,4-ab]indole S,S-dioxide
  参考文献：
  名称：

  Synthesis of Novel Rigid Analogs of Tryptamine as Potential Serotonin Ligands through Pd(0)-Catalyzed Diaryl Coupling Reactions

  摘要：

  A series of novel tetracyclic 6-thia-5a-aza-acephenanthrylene derivatives 7 were synthesized by rigidization of the arylsulfonyl/carbonyl/methyl moiety through C7 of indole, which was achieved under Heck conditions. The strategy of altering the palladium-bromine exchange site produced target products.

  DOI：

  10.1080/00397910802139205
• 作为产物：
  描述：

  、 2-氯-5-（三氟甲基）苯-1-磺酰氯 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 2-(7-bromo-1-((2-chloro-5-(trifluoromethyl)phenyl)sulfonyl)-5-fluoro-1H-indol-3-yl)-N,N-dimethylethan-1-amine
  参考文献：
  名称：

  Synthesis of Novel Rigid Analogs of Tryptamine as Potential Serotonin Ligands through Pd(0)-Catalyzed Diaryl Coupling Reactions

  摘要：

  A series of novel tetracyclic 6-thia-5a-aza-acephenanthrylene derivatives 7 were synthesized by rigidization of the arylsulfonyl/carbonyl/methyl moiety through C7 of indole, which was achieved under Heck conditions. The strategy of altering the palladium-bromine exchange site produced target products.

  DOI：

  10.1080/00397910802139205