N-(2-fluoro-4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline | 449175-25-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: N-(2-fluoro-4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)nitrobenzene；2-(2-fluoro-4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline；2-(2-fluoro-4-nitrophenyl)-3,4-dihydro-1H-isoquinoline
• CAS: 449175-25-1
• 化学式: C₁₅H₁₃FN₂O₂
• 分子量: 272.279
• InChiKey: NOMDHTHNIHTRSM-UHFFFAOYSA-N

物化性质

• 沸点：
  446.3±45.0 °C(Predicted)
• 密度：
  1.311±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  49.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2-fluoro-4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 N-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde andN-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline

  摘要：

  2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde, C15H13 FN2O3, exists as the aldehyde form with essentially planar and parallel benzaldehyde and nitroaniline fragments, which are Linked through an ethylene bridge joining the aniline N atom and an ortho-C atom of the benzaldehyde fragment. N-(2-Fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline, C16H15FN2O3, obtained as a methanolysis product on attempted recrystallization of 2-(2-fluoro-4-nitroaniIinoethyl)benzaldehyde from methanol solution, consists of essentially planar nitrobenzene and non-planar tetrahydroquinoline fragments, which are Linked directly through the para-C atom of the former and the endocyclic N atom of the latter.

  DOI：

  10.1107/s010827019901104x
• 作为产物：
  描述：

  四氢异喹啉 、 3,4-二氟硝基苯 以 乙腈 为溶剂， 反应 5.5h， 以99%的产率得到N-(2-fluoro-4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  [EN] 1H-ISOQUINOLINE-OXAZOLIDINONE DERIVATIES AND THEIR USE AS ANTIBACTERIAL AGENTS
  [FR] DERIVES DE 1H-ISOQUINOLINE-OXAZOLIDINONE, ET LEUR UTILISATION COMME AGENTS ANTIBACTERIENS

  摘要：

  本发明提供了一般式（I）的新化合物，它们的衍生物、类似物、互变异构体、立体异构体、多晶形态、水合物、溶剂合物、药学上可接受的盐以及含有它们的药学上可接受的组合物。本发明特别提供了一般式（I）的新噁唑啉酮衍生物。

  公开号：

  WO2003106454A1

文献信息

• [EN] 1H-ISOQUINOLINE-OXAZOLIDINONE DERIVATIES AND THEIR USE AS ANTIBACTERIAL AGENTS<br/>[FR] DERIVES DE 1H-ISOQUINOLINE-OXAZOLIDINONE, ET LEUR UTILISATION COMME AGENTS ANTIBACTERIENS
  申请人：ORCHID CHEMICALS & PHARM LTD

  公开号：WO2003106454A1

  公开（公告）日：2003-12-24

  The present invention provides novel compounds of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their hydrates, their solvates, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions containing them. The present invention more particularly provides novel oxazolidinone derivatives of the general formula (I)

  本发明提供了一般式（I）的新化合物，它们的衍生物、类似物、互变异构体、立体异构体、多晶形态、水合物、溶剂合物、药学上可接受的盐以及含有它们的药学上可接受的组合物。本发明特别提供了一般式（I）的新噁唑啉酮衍生物。
• Aryl Urea Derivatives for Treating Obesity
  申请人：Bloxham Jason

  公开号：US20080261952A1

  公开（公告）日：2008-10-23

  A method of treating a condition associated with the CB-1 receptor, in particular obesity, by administering an effective amount of an aryl urea CB-1 receptor modulating compound to a subject in need of such treatment.

  通过向需要此类治疗的受试者施用有效量的芳基脲CB-1受体调节化合物来治疗与CB-1受体相关的疾病，尤其是肥胖症的方法。
• [EN] ARYL UREA DERIVATIVES FOR TREATING OBESITY<br/>[FR] DERIVES D'UREE ARYLIQUE
  申请人：PROSIDION LTD

  公开号：WO2006018662A3

  公开（公告）日：2006-12-21
• ARYL UREA DERIVATIVES FOR TREATING OBESITY
  申请人：Prosidion Limited

  公开号：EP1786422A2

  公开（公告）日：2007-05-23
• [EN] ARYL UREA DERIVATIVES<br/>[FR] DERIVES D'UREE ARYLIQUE
  申请人：PROSIDION LTD

  公开号：WO2006018662A2

  公开（公告）日：2006-02-23

  A method of treating a condition associated with the CB-1 receptor, in particular obesity, by administering an effective amount of an aryl urea CB-1 receptor modulating compound to a subject in need of such treatment.