CAS: 937046-98-5; 7-Bromopyrrolo[2,1-F][1,2,4]Triazin-4-Amine

• 英文名称7-Bromopyrrolo[2,1-F][1,2,4]Triazin-4-Amine
• 中文名称7-溴吡咯并[1,2-f][1,2,4]噻嗪-4-胺
• IUPAC名称7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
• 其它别名7-bromopyrrolo[1,2-f][1,2,4]triazin-4-amine; 4-Amino-7-bromo-pyrrolo[2...
• CAS编号937046-98-5
• MFCD编号:MFCD09033848
• EINECS号:878-415-9
• 分子式:C6H5BrN4
• 分子量:213.04
• 产品CID: 1977084
• 产品分类医药中间体

• 相似结构搜索
• InChIKey: YGCJBESZJIGDMP-UHFFFAOYSA-N
• InChI=1S/C6H5BrN4/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H,(H2,8,9,10)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数0.0

物理性质

• 熔点247 °C
• 密度2.1±0.1 g/cm3
• pKa:2.82±0.30(预测)
• PSA:56.21
• LogP:-0.17
• 折射率1.831
• 外观形态固体;White to Light yellow powder to crystal
• 储存条件在惰性气体(氮气或氩气)下 2–8 °C
• 产品应用该化合物用于抗癌剂和PRMT5抑制剂.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
• 防范说明P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
• 危险品标志Xi
• 安全声明H303+H313+H333

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 7-Bromopyrrolo[1,2-F][1,2,4]Triazin-4-Amine 主要起始原料 Pyrrolo[1,2-F][1,2,4]Triazin-4-Amine
• 159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin Solvents: Dimethylformamide; 45 Min,-20 °C; 45 Min,-20 °C
  标题:Regioselective Mono-Bromination Of Pyrrolo[2,1-F][1,2,4]Triazin-4-Amine
  作者:Bi,Lei; Fang,Sheng; Zhang,Ran; Yin,Xianzhen; Fu,Chenchao; Et Al
  参考文献:Asian Journal Of Chemistry 日期:2014 卷标:26(20) 页码:7083-7084]
  
  159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin Solvents: Dimethylformamide; 1 H,-20 °C1.2 Reagents: Sodium Sulfite Solvents: Water
  标题:Preparation Of Substituted Nucleosides,Nucleotides And Analogs Thereof As Antiviral Agents
  参考文献:World Intellectual Property Organization]
  
  159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Dimethylformamide; 0 °C; 0 °C -> Rt; 8 H,Rt
  标题:Preparation Method Of Remdesivir Intermediate
  参考文献:China]
  
  159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; Rt; 2 H,50 °C
  标题:Preparation Of 7-Halopyrrolo[1,2-F][1,2,4]Triazine-4-Amine Of The Key Intermediate Of Remdesivir
  参考文献:China]
  
  159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin Solvents: Dimethylformamide; -40 °C; -40 °C -> 0 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 0 °C; 3 H,Rt
  标题:Flash Chemistry Approach To Organometallic C-Glycosylation For The Synthesis Of Remdesivir
  作者:Von Keutz,Timo; Williams,Jason D.; Kappe,C. Oliver
  参考文献:Organic Process Research & Development 日期:2021 卷标:25(4) 页码:1015-1021]
  
  159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin Solvents: Dimethylformamide; 1 H,-20 °C; -20 °C -> Rt1.2 Reagents: Sodium Sulfite Solvents: Water; Rt
  标题:Synthesis Of 7-Bromopyrrolo[2,1-F][1,2,4]Triazin-4-Amine
  作者:Zheng,Jun; Cao,Guo-Rui
  参考文献:Huaxue Shiji 日期:2020 卷标:42(5) 页码:608-611]
  
  159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin Solvents: Dimethylformamide; -40 °C; 15 Min,-40 °C -> 0 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 2 H,Rt
  标题:Continuous Flow C-Glycosylation Via Metal-Halogen Exchange: Process Understanding And Improvements Toward Efficient Manufacturing Of Remdesivir
  作者:Von Keutz,Timo; Williams,Jason D.; Kappe,C. Oliver
  参考文献:Organic Process Research & Development 日期:2020 卷标:24(10) 页码:2362-2368]
  
  159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin Solvents: Dimethylformamide; -15 °C; 45 Min,< -10 °C
  标题:Method For Preparing 7-Bromopyrrolo[2,1-F][1,2,4]Triazin-4-Amine As Gs-441524 Intermediate For Treating Feline Infectious Peritonitis (Fip)
  参考文献:China]
  
  159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin Solvents: Dimethylformamide; Rt -> -20 °C; 45 Min,-20 °C; 45 Min,-20 °C1.2 Reagents: Sodium Sulfite Solvents: Water
  标题:Preparation Of Substituted 4-Amino-Pyrrolotriazine Derivatives Useful For Treating Hyper-Proliferative Disorders And Diseases Associated With Angiogenesis
  参考文献:World Intellectual Property Organization]
  
  159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin Solvents: Dimethylformamide; Rt -> -20 °C; 45 Min,-20 °C; 45 Min,-20 °C1.2 Reagents: Sodium Sulfite Solvents: Water
  标题:Preparation Of Pyrrolo[2,1-F][1,2,4]Triazin-4-Ylamines As Igf-1R Kinase Inhibitors For The Treatment Of Cancer And Other Hyperproliferative Diseases
  参考文献:World Intellectual Property Organization]
  
  159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin Solvents: Dimethylformamide; -20 °C; 45 Min,-20 °C
  标题:N-Heterocycle-Containing Derivative And Its Pharmaceutical Application
  参考文献:China]
  
  36953-44-3 + 463-52-5 = 937046-98-5
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Tert-Butyl Methyl Ether; 5 - 10 °C; 30 Min,Rt1.2 Reagents: Monochloramine Solvents: Dimethylformamide,Tert-Butyl Methyl Ether1.3 90 - 95 °C; 8 H,90 - 95 °C1.4 Reagents: Water; Cooled
  标题:N-Cyano-2,2'-Biphenyldicarboimide As A Cyanation Reagent For Co(Iii)-Catalyzed C-H Cyanation Of Indoles In Ionic Liquids
  作者:Zhang,Jingchao; Zou,Mengqi; Tian,Qinye; Sun,Zhizhong; Chu,Wenyi
  参考文献:Organic Letters 日期:2023 卷标:25(9) 页码:1436-1440]
  
  159326-68-8 = 937046-98-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin Solvents: Dimethylformamide; -40 °C; -40 °C -> 0 °C1.2 Reagents: Sodium Sulfite Solvents: Water
  标题:Development Of 4-Heteroarylamino-1'-Azaspiro[oxazole-5,3'-Bicyclo[2.2.2]Octanes] As α7 Nicotinic Receptor Agonists
  作者:Hill,Matthew D.; Fang,Haiquan; King,H. Dalton; Iwuagwu,Christiana I.; Mcdonald,Ivar M.; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2017 卷标:8(1) 页码:133-137]
  
  = 937046-98-5 [标题:Reaction Conditions
  标题:Aminopyrrolotriazines As Kinase Inhibitors And Their Preparation
  参考文献:World Intellectual Property Organization

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