CAS: 944896-42-8; 6-Bromoimidazo[1,2-A]Pyridine-3-Carboxylic Acid

• 英文名称6-Bromoimidazo[1,2-A]Pyridine-3-Carboxylic Acid
• 中文名称6-溴咪唑并[1,2-a]吡啶-3-甲酸
• IUPAC名称6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid
• 其它别名6-溴咪唑并[1,2-A]吡啶-3-羧酸; 6-Bromoimidazo[1,2-A]Pyridine-3-Carboxylicacid
• CAS编号944896-42-8
• MFCD编号:MFCD10698063
• EINECS号:804-630-4
• 分子式:C8H5BrN2O2
• 分子量:241.04
• 产品CID: 1995746
• 产品分类有机原料→分子砌块→芳杂环类化合物→咪唑类化合物

• 相似结构搜索
• InChIKey: SDKJLYHPCBMDAD-UHFFFAOYSA-N
• InChI=1S/C8H5BrN2O2/c9-5-1-2-7-10-3-6(8(12)13)11(7)4-5/h1-4H,(H,12,13)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

相似化合物

物理性质

• 密度1.9±0.1 g/cm3
• pKa:-0.99±0.41(预测)
• PSA:54.6
• LogP:1.795
• 折射率1.728
• 外观形态类白色至淡棕色固体
• 储存条件2-8°C
• 产品应用该化合物用于医药中间体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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-Bromoimidazo[1,2-A]Pyridine-3-Carboxylicacid 主要起始原料 Imidazo[1,2-A]Pyridine-3-Carboxylic Acid, 6-Bromo-, Ethyl Ester
• 372198-69-1 = 944896-42-8
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Methanol,Water; 2 H,20 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 5
  标题:Method For Synthesis Of 6-Bromoimidazo[1,2-A]Pyridine-3-Carboxylic Acid
  参考文献:China]
  
  372198-69-1 = 944896-42-8
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Methanol,Tetrahydrofuran,Water; 1 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2
  标题:Preparation Of Benzo-Heterocycles Compound As Pi3K Alpha Kinase Inhibitor
  参考文献:China]
  
  372198-69-1 = 944896-42-8
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 24 H,50 °C
  标题:Combination Of Kinase Inhibitors And Uses Thereof
  参考文献:United States]
  
  372198-69-1 = 944896-42-8
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Ethanol,Tetrahydrofuran; 3 D,Rt1.2 Reagents: Hydrogen Ion Solvents: Water; Neutralized
  标题:Preparation Of Substituted N-(1H-Indazol-4-Yl)Imidazo[1,2-A]Pyridine-3-Carboxamide Compounds As Type Iii Receptor Tyrosine Kinase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  1072-97-5 + 33142-21-1 = 944896-42-8
  反应条件:1.1 Solvents: Ethanol; Rt -> 78 °C; 1 - 2 D,78 °C; 78 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; 30 Min,< 35 °C; 3 - 4 H,35 °C -> 78 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; 1 - 2 H,Ph 1 - 2,0 - 5 °C
  标题:(1Ar,12Bs)-8-Cyclohexyl-11-Fluoro-N-((1-Methylcyclopropyl)Sulfonyl)-1A-((3-Methyl-3,8-Diazabicyclo[3.2.1]Oct-8-Yl)Carbonyl)-1,1A,2,2B-Tetrahydrocyclopropa[d]Indolo[2,1-A][2]Benzazepine-5-Carboxamide For Use In Treating Hcv
  参考文献:European Patent Organization]
  
  1072-97-5 + 33142-21-1 = 944896-42-8
  反应条件:1.1 Solvents: Ethanol; 1 - 2 D,Rt -> 78 °C; 78 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; 30 Min,< 35 °C; 3 - 4 H,35 °C -> 78 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2,0 - 5 °C; 1 - 2 H,0 - 5 °C
  标题:Preparation Of Polymorphs Of Kinase Inhibitor [6-(2-Aminobenzo[d]Oxazol-5-Yl)Imidazo[1,2-A]Pyridin-3-Yl](Morpholino)Methanone
  参考文献:World Intellectual Property Organization]
  
  372198-69-1 = 944896-42-8
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Methanol,Tetrahydrofuran,Water; 60 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Discovery Of 3,6-Disubstituted-Imidazo[1,2-A]Pyridine Derivatives As A New Class Of Clk1 Inhibitors
  作者:Zhang,Yun; Xia,Anjie; Zhang,Shiyu; Lin,Guifeng; Liu,Jingming; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2021 卷标:41]
  
  372198-69-1 = 944896-42-8
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Methanol,Tetrahydrofuran,Water; Overnight,60 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:Bicyclic Heteroaryls As Kinase Inhibitors And Their Preparation
  参考文献:World Intellectual Property Organization]
  
  474708-98-0 = 944896-42-8
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 12 H,100 °C; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 4,Cooled
  标题:2,3-Disubstituted Pyridine Compounds As Tgf-Beta Inhibitors And Their Preparation
  参考文献:World Intellectual Property Organization

海关参考信息

• 2905110000-甲醇
  2912110000-甲醛
  2915110000-甲酸
  2933310010-吡啶
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