CAS: 791626-58-9; 6-Bromoquinolin-2-Amine

• 英文名称6-Bromoquinolin-2-Amine
• 中文名称6-溴喹啉-2-胺
• IUPAC名称6-bromoquinolin-2-amine
• 其它别名6-溴-2-氨基喹啉; 2-Quinolinamine, 6-Bromo-
• CAS编号791626-58-9
• MFCD编号:MFCD06738670
• EINECS号:848-433-1
• 分子式:C9H7BrN2
• 分子量:223.07
• 产品CID: 1785942
• 产品分类有机原料→分子砌块→芳杂环类化合物→喹啉类化合物

• 相似结构搜索
• InChIKey: GSKICCPQEZRQEC-UHFFFAOYSA-N
• InChI=1S/C9H7BrN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

相似化合物

物理性质

• 熔点141-146 °C
• 沸点362.4±22.0 °C at 760 mmHg
• 闪点173.0±22.3 °C
• 密度1.6±0.1 g/cm3
• pKa:5.83±0.43(预测)
• PSA:38.91
• LogP:2.5795
• 折射率1.732
• 蒸汽压0.0±0.8 mmHg at 25°C
• 外观形态黄色至灰色固体
• 储存条件2-8°C(避光保存)

MSDS等安全信息

• GHS符号GHS07
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 危险品标志Xi
• 安全声明H302 (100%)H315 (100%)H319 (100%)

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 6-Bromoquinolin-2-Amine 主要起始原料 Tert-Butyl6-Bromoquinolin-2-Ylcarbamate
• 1201845-09-1 = 791626-58-9
  反应条件:1.1 Reagents: Morpholine,Potassium Tert-Butoxide Solvents: 1,2-Dimethoxyethane
  标题:Development Of 2-Aminoquinoline Derivatives As Ligands For Tec Sh3 Domain
  作者:Smith,Jessica
  参考文献:2010]
  
  6563-11-7 = 791626-58-9
  反应条件:1.1 Reagents: Tert-Butylamine,P-Toluenesulfonic Anhydride Solvents: Chloroform,Trifluorotoluene; 0 - 10 °C; 30 Min,5 - 12 °C; 5 - 12 °C1.2 Reagents: Trifluoroacetic Acid; 10 H,70 °C1.3 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; Ph 9 - 10,Rt
  标题:Synthesis,Photophysical And Electrochemical Properties Of Aza-Boron-Diquinomethene Complexes
  作者:Wang,Danfeng; Liu,Rui; Chen,Chen; Wang,Shifan; Chang,Jin; Et Al
  参考文献:Dyes And Pigments 日期:2013 卷标:99(1) 页码:240-249]
  
  6563-11-7 = 791626-58-9
  反应条件:1.1 Reagents: Pyridine,Trifluoromethanesulfonic Anhydride Solvents: Acetonitrile; 1 H,0 °C; 15 Min,0 °C; 0 °C -> Rt; 8 H,Rt1.2 Reagents: Piperidine; Rt; 6 H,Rt
  标题:Reaction Of Pyridine-N-Oxides With Tertiary Sp2-N-Nucleophiles: An Efficient Synthesis Of Precursors For N-(Pyrid-2-Yl)-Substituted N-Heterocyclic Carbenes
  作者:Bugaenko,Dmitry I.; Yurovskaya,Marina A.; Karchava,Alexander V.
  参考文献:Advanced Synthesis & Catalysis 日期:2020 卷标:362(24) 页码:5777-5782]
  
  6563-11-7 = 791626-58-9
  反应条件:1.1 Reagents: Tert-Butylamine,P-Toluenesulfonic Anhydride Solvents: Dichloromethane,Water; 2 H,5 - 12 °C1.2 Reagents: Trifluoroacetic Acid Solvents: Toluene; 6 H,70 °C
  标题:Aza-Boron-Diquinomethene Complexes Bearing N-Aryl Chromophores: Synthesis,Crystal Structures,Tunable Photophysics,The Protonation Effect And Their Application As Ph Sensors
  作者:Zhu,Xiaolin; Huang,Hai; Liu,Rui; Jin,Xiaodong; Li,Yuhao; Et Al
  参考文献:Journal Of Materials Chemistry C: Materials For Optical And Electronic Devices 日期:2015 卷标:3(15) 页码:3774-3782]
  
  1810-71-5 = 791626-58-9
  反应条件:1.1 Reagents: Acetamide,Potassium Carbonate; 200 °C
  标题:Identification And Specificity Studies Of Small-Molecule Ligands For Sh3 Protein Domains
  作者:Inglis,Steven R.; Stojkoski,Cvetan; Branson,Kim M.; Cawthray,Jacquie F.; Fritz,Daniel; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2004 卷标:47(22) 页码:5405-5417]
  
  1810-66-8 = 791626-58-9
  反应条件:1.1 Reagents: Phosphorus Oxychloride; 2 H,Rt -> 140 °C; 140 °C -> Rt1.2 Reagents: Potassium Carbonate Solvents: Dichloromethane,Water; Ph 71.3 Reagents: 4-Methoxybenzylamine Solvents: Ethanol,Toluene; Heated; 45 Min,Rt -> 155 °C1.4 Reagents: Trifluoroacetic Acid; 90 Min,Rt -> 60 °C
  标题:From Fragment Screening To In Vivo Efficacy: Optimization Of A Series Of 2-Aminoquinolines As Potent Inhibitors Of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (Bace1)
  作者:Cheng,Yuan; Judd,Ted C.; Bartberger,Michael D.; Brown,James; Chen,Kui; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2011 卷标:54(16) 页码:5836-5857

海关参考信息

• 2933310010-吡啶
  2939800000-其他生物碱
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
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