CAS: 95-02-3; 5-(Aminomethyl)-2-Methylpyrimidin-4-Amine

• 英文名称5-(Aminomethyl)-2-Methylpyrimidin-4-Amine
• 中文名称5-(氨基甲基)-2-甲基嘧啶-4-胺
• IUPAC名称5-(aminomethyl)-2-methylpyrimidin-4-amine
• 其它别名4-氨基-2-甲基-5-(氨甲基)嘧啶; 4-氨基-5-氨甲基-2-甲基嘧啶; Grewe Diamine
• CAS编号95-02-3
• MFCD编号:MFCD00078880
• EINECS号:202-384-7
• FDA UNII编号:EU1UNR0P28
• 分子式:C6H10N4
• 分子量:138.17
• 产品CID: 2475406
• 产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

• 相似结构搜索
• InChIKey: OZOHTVFCSKFMLL-UHFFFAOYSA-N
• InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)…
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数1.0

相似化合物

物理性质

• 熔点270-272°C
• 沸点301.6±27.0°C at 760 mmHg
• 闪点161.5 °C
• 密度1.207g/cm3
• PH:10.65 at 20°C and 10g/L
• pKa:7.70±0.29(预测)
• PSA:77.82
• LogP:-0.17408
• 蒸汽压0.012-0.019Pa at 20-25°C
• 溶解性DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly)
• 外观形态类白色至米色固体
• 储存条件-20°C 冷藏
• 产品应用4-氨基-2-甲基-5-(氨甲基)嘧啶(95-02-3)的用途:用作合成维生素B1的中间体.
• 性质描述4-氨基-2-甲基-5-(氨甲基)嘧啶(95-02-3)的性状:本品为结晶.

MSDS等安全信息

• GHS象形图
• GHS符号GHS05 & GHS07;
  注释: Corrosion & Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
  皮肤致敏 类别1
  严重眼刺激 类别2
• 警示词Danger(危险)
• 危险描述H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H317 |可能引起皮肤过敏反应.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xi

欧盟法规

上下游产品

合成工艺路线路线简述

• 1886-34-6 = 95-02-3
  反应条件:1.1 Reagents: Amberlite Ira 958 Solvents: Water; 60 °C
  标题:Preparation Of A Precursor Of Vitamin B1
  参考文献:World Intellectual Property Organization]
  
  1886-34-6 = 95-02-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 3 H,75 °C
  标题:Lewis Acid-Catalyzed Synthesis Of 4-Aminopyrimidines: A Scalable Industrial Process
  作者:Letinois,Ulla; Schutz,Jan; Harter,Ralph; Stoll,Rinke; Huffschmidt,Florian; Et Al
  参考文献:Organic Process Research & Development 日期:2013 卷标:17(3) 页码:427-431]
  
  1886-34-6 = 95-02-3
  反应条件:1.1 Solvents: Ethanol; 4 H,80 °C
  标题:Process For The Manufacture Of A Precursor Of Vitamin B1
  参考文献:World Intellectual Property Organization]
  
  124-42-5 + 151-18-8 = 95-02-3
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol,Dimethylformamide,Dimethyl Sulfate; -10 °C; 40 Min,-10 °C1.2 Solvents: Dichloromethane; 20 Min,-10 °C1.3 Reagents: Sodium Methoxide Solvents: Methanol; -4 °C; 30 Min,-4 °C1.4 Reagents: Sodium Hydroxide; -4 °C -> 25 °C; 16 H,25 °C
  标题:Method For Preparing 2-Methyl-4-Amino-5-Aminomethylpyrimidine Using Dimethyl Sulfate
  参考文献:China]
  
  1886-34-6 = 95-02-3
  反应条件:1.1 Solvents: Water; 50 °C
  标题:Method For Preparing Diamino-Pyrimidine
  参考文献:China]
  
  698-29-3 = 95-02-3
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Nickel Solvents: Methanol; Rt -> 60 °C; 24 H,4 Mpa,60 °C
  标题:Methods Of Lowering Proprotein Convertase Subtilisin/kexin Type 9 (Pcsk9)
  参考文献:World Intellectual Property Organization]
  
  1131-83-5 + 143-37-3 = 95-02-3
  反应条件:1.1 Reagents: Zinc Chloride Solvents: Toluene; Rt -> 80 °C1.2 75 - 80 °C1.3 95 - 100 °C1.4 Reagents: Sodium Hydroxide Solvents: Water; 95 - 100 °C
  标题:An Improved Short-Cut Synthesis Of Vitamin B1 Intermediate 2-Methyl-4-Amino-5-(Aminomethyl)Pyrimidine
  参考文献:China]
  
  59749-65-4 + 143-37-3 = 95-02-3
  反应条件:1.1 Catalysts: Cuprous Chloride Solvents: Toluene; Rt -> 80 °C1.2 Solvents: Methanol; 75 - 80 °C1.3 95 - 100 °C1.4 Reagents: Sodium Hydroxide Solvents: Water; 95 - 100 °C
  标题:Convenient Method For Preparing Vitamin B1 Key Intermediate 2-Methyl-4-Amino-5-(Aminomethyl)Pyrimidine
  参考文献:China]
  
  698-29-3 = 95-02-3
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Nickel Solvents: Methanol,Water; 70 °C; 2 Min,100 °C
  标题:Method For Preparation Of 2-Methyl-4-Amino-5-Cyanopyrimidine By Using Micro Reaction System
  参考文献:China]
  
  698-29-3 = 95-02-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel,Ammonia Solvents: Methanol; 1.5 - 2 Min,16 Bar,100 °C
  标题:Fully Continuous Flow Synthesis Of 5-(Aminomethyl)-2-Methylpyrimidin-4-Amine: A Key Intermediate Of Vitamin B1
  作者:Jiang,Meifen; Liu,Minjie; Huang,Huashan; Chen,Fener
  参考文献:Organic Process Research & Development 日期:2021 卷标:25(10) 页码:2331-2337]
  
  1886-34-6 = 95-02-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Xylene,Water; Rt -> 110 °C; 2 H,110 °C
  标题:Process For Hydrolyzing 2-Methyl-4-Amino-5-(Formylaminomethyl)Pyrimidine
  参考文献:China]
  
  63423-50-7 = 95-02-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 12 H,Rt
  标题:Design,Synthesis And Molecular Docking Of Amide And Urea Derivatives As Escherichia Coli Pdhc-E1 Inhibitors
  作者:He,Jun-Bo; Ren,Yan-Liang; Sun,Qiu-Shuang; You,Ge-Yun; Zhang,Li; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2014 卷标:22(12) 页码:3180-3186]
  
  63423-50-7 = 95-02-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 4 H,1 Atm,Rt
  标题:Synthesis Of Pyrrothiamine,A Novel Thiamine Analogue,And Evaluation Of Derivatives As Potent And Selective Inhibitors Of Pyruvate Dehydrogenase
  作者:Chan,Alex H. Y.; Ho,Terence C. S.; Agyei-Owusu,Kwasi; Leeper,Finian J.
  参考文献:Organic & Biomolecular Chemistry 日期:2022 卷标:20(45) 页码:8855-8858]
  
  698-29-3 = 95-02-3
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Nickel Solvents: Methanol; Rt -> 100 °C; 5 H,4 Mpa,100 °C
  标题:Development Of Two Scalable Syntheses Of 4-Amino-5-Aminomethyl-2-Methylpyrimidine: Key Intermediate For Vitamin B1
  作者:Zhao,Lei; Ma,Xiao-Dong; Chen,Fen-Er
  参考文献:Organic Process Research & Development 日期:2012 卷标:16(1) 页码:57-60]
  
  63423-50-7 = 95-02-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; Rt
  标题:Synthesis,Characterization And X-Ray Crystal Structure Of 4-Fluoro-N-(2-Methyl-5-((2-(P-Tolyloxy)Acetamido)-Methyl)Pyrimidin-4-Yl)Benzamide
  作者:Deng,Xiao-Yan; Peng,Hao; He,Hong-Wu
  参考文献:Chinese Journal Of Structural Chemistry 日期:2014 卷标:33(2) 页码:223-227]
  
  698-29-3 = 95-02-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Methanol
  标题:Hydrogenation Of Basic Nitriles With Raney Ni
  作者:Huber,Wolfgang
  参考文献:Journal Of The American Chemical Society 日期:1944 卷标:66 页码:876-9]
  
  107-91-5 + 124-42-5 = 95-02-3
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Pyridine; -10 °C; 15 H,0.7 Mpa,25 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; Ph 41.3 Reagents: Sodium Methoxide Solvents: Methanol; 25 °C1.4 Reagents: Triethylamine,Hydrogen Catalysts: Nickel Solvents: Methanol; 5 Min,1.6 Mpa,110 °C
  标题:Full Continuous Flow Preparation Method Of 2-Methyl-4-Amino-5-Aminomethylpyrimidine For Synthesizing Vitamin B1
  参考文献:China]
  
  124-42-5 = 95-02-3
  反应条件:1.1 Reagents: Zinc Chloride Solvents: Isopropanol; Rt -> 90 °C; 85 - 90 °C1.2 Reagents: Sodium Hydroxide Solvents: Isopropanol; 90 - 95 °C
  标题:Synthesis Method Of Vitamin B1 Key Intermediate 4-Amino-5-Aminomethyl-2-Methylpyrimidine Via One-Step Cyclization And Hydrolysis
  参考文献:China]
  
  769-82-4 = 95-02-3
  反应条件:1.1 Reagents: Ammonia Catalysts: Alumina Solvents: Toluene
  标题:Amination Process And Oxide Catalysts For The Preparation Of 2-Methyl-4-Amino-5-(Aminomethyl)Pyrimidine From 5-(Alkoxymethyl)-4-Amino-2-Methylpyrimidines
  参考文献:European Patent Organization

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管