CAS: 931-19-1; 2-Methylpyridine 1-Oxide

• 英文名称2-Methylpyridine 1-Oxide
• 中文名称2-甲基吡啶-N-氧化物
• IUPAC名称2-methylpyridine 1-oxide
• 其它别名2-Picoline N-Oxide
• CAS编号931-19-1
• MFCD编号:MFCD00006199
• EINECS号:213-230-3
• 分子式:C6H7NO
• 分子量:109.13
• 产品CID: 1969888
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: CFZKDDTWZYUZKS-UHFFFAOYSA-N
• InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 熔点41-45  °C(文献)
• 沸点279.2±9.0 °C at 760 mmHg
• 闪点122.6±18.7 °C
• 密度1.0±0.1 g/cm3
• pKa:pK1:1.029(+1) (25°C)
• PSA:25.46
• LogP:-0.74
• 折射率1.513
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Soluble
• 敏感性吸潮
• 外观形态白色或无色至淡黄色粉末至块状物至透明液体
• 储存条件室温, 氮气保护
• 产品应用该化合物用于药品中间体.
• 性质描述熔点46-50°C,沸点259-261°C,闪点143°C,水溶性soluble

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  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.
  H302 |吞咽有害.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi,Xn,F
• 安全声明26-36-24/25-16
• 危险类别码36/37/38-20/21/22-10
• WGK Germany3

欧盟法规

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合成工艺路线路线简述

• 109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Maleic Anhydride-1-Octadecene Alternating Copolymer Solvents: Water; 7 H,90 °C1.2 Reagents: Sodium Thiosulfate Solvents: Water
  标题:Recyclable Anhydride Catalyst For H2O2 Oxidation: N-Oxidation Of Pyridine Derivatives
  作者:Gajeles,Ghellyn; Kim,Se Mi; Yoo,Jong-Cheol; Lee,Kyung-Koo; Lee,Sang Hee
  参考文献:Rsc Advances 日期:2020 卷标:10(15) 页码:9165-9171]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Tetraethoxysilane,Iron Oxide (Fe3O4),Poly(Vinyl Alcohol); 30 Min,95 °C
  标题:Hibiscus Sabdariffa Extract/poly (Vinyl Alcohol) Modified Magnetite As A Magnetically Recyclable Nanocatalyst For The Selective Oxidation Of Amines
  作者:Haghighi,Pegah; Ziyadi,Hakimeh; Hekmati,Malak; Habibnejad,Navid; Iranfar,Sheyda
  参考文献:Results In Chemistry 日期:2022 卷标:4]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Methyltrioxorhenium Solvents: Acetonitrile; 3 H,Reflux
  标题:Methyltrioxorhenium Catalyzed Aerobic Oxidation Of Organonitrogen Compounds
  作者:Sharma,Vishal B.; Jain,Suman L.; Sain,Bir
  参考文献:Tetrahedron Letters 日期:2003 卷标:44(16) 页码:3235-3237]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Hydrogen Peroxide Solvents: Methanol
  标题:Continuous Flow Microreactor Promoted The Catalytic N -Oxidation Reaction Of Pyridine Derivatives
  作者:Chen,Siyuan; Yang,Shanxiu; Wang,Hao; Niu,Yanning; Zhang,Zhang; Et Al
  参考文献:Synthesis 日期:2022 卷标:54(18) 页码:3999-4004]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Hydrogen Peroxide,Phosphorus(2+),μ-Oxohexaphenyldi-,1,1,1-Trifluoromethanesulfonate (1:2) Solvents: Ethanol; 15 Min,Rt1.2 60 Min,Rt
  标题:A Mild And Efficient H2O2 Oxygenation Of N-Heteroaromatic Compounds To The Amine N-Oxides And Ki Deoxygenation Back To The Tertiary Amine With Hexaphenyloxodiphosphonium Triflate
  作者:Khodaei,Mohammad Mehdi; Alizadeh,Abdolhamid; Hezarkhani,Hadis Afshar
  参考文献:Journal Of The Iranian Chemical Society 日期:2018 卷标:15(8) 页码:1843-1849]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Catalysts: Tungstic Acid (H2Wo4); 10 Min,60 °C1.2 Reagents: Hydrogen Peroxide; 24 H,60 °C
  标题:Preparation Of Pyridine N-Oxides Without The Use Of Strong Acids Or Organic Solvents
  参考文献:Japan]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: M-Chloroperbenzoic Acid Solvents: Isopropyl Acetate,Water; 45 - 50 Min,10 - 15 °C; 1 H,10 - 15 °C; 4 H,30 - 35 °C1.2 Reagents: Sodium Sulfite; 15 Min,30 - 35 °C; 35 °C -> 15 °C1.3 Reagents: Ammonia; Ph 8 - 9,10 - 15 °C
  标题:Recovery Of Meta-Chlorobenzoic Acid As Ammonium Salt In The Process For The Preparation Of N-Oxide Of Heterocycles By Oxidation With Meta-Chloroperoxybenzoic Acid
  参考文献:India]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: M-Chloroperbenzoic Acid Solvents: Isopropyl Acetate; 45 - 50 Min,10 - 15 °C; 1 H,10 - 15 °C; 4 H,30 - 35 °C1.2 Reagents: Sodium Sulfite; 15 Min,30 - 35 °C1.3 Reagents: Ammonia; 35 °C -> 10 °C; Ph 8 - 9,10 - 15 °C
  标题:The M-Cpba-Nh3(G) System: A Safe And Scalable Alternative For The Manufacture Of (Substituted) Pyridine And Quinoline N-Oxides
  作者:Palav,Amey; Misal,Balu; Ernolla,Anilkumar; Parab,Vinod; Waske,Prashant; Et Al
  参考文献:Organic Process Research & Development 日期:2019 卷标:23(2) 页码:244-251]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Acetonitrile,Hydrogen Peroxide Catalysts: 2,2,2-Trifluoro-1-Phenylethanone Solvents: Tert-Butanol,Water; 18 H,Ph 11,Rt
  标题:2,2,2-Trifluoroacetophenone As An Organocatalyst For The Oxidation Of Tertiary Amines And Azines To N-Oxides
  作者:Limnios,Dimitris; Kokotos,Christoforos G.
  参考文献:Chemistry - A European Journal 日期:2014 卷标:20(2) 页码:559-563]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: 12-Tungstophosphoric Acid (Supported On Activated Carbon) Solvents: Water; 5 H,70 °C
  标题:Oxidation Synthesis Method Of Methylpyridine N-Oxide
  参考文献:China]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Acetic Acid,Oxygen Solvents: Water
  标题:Synthesis Of Heterocyclic Nitrogen Derivatives
  作者:Wacht,Elisabeth
  参考文献:1993]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Hexadecyltrimethylammonium Bromide,Sulfuric Acid,Sodium Silicate Nonahydrate Solvents: Water; Ph 8.51.2 Reagents: Ammonium Hydroxide Catalysts: Titanium Chloride (Ticl3),Sodium Stannate (Na2Sno3) Solvents: Water; Ph 9 - 9.51.3 Catalysts: Sodium Tungstate Dihydrate Solvents: Water; 2 H,Rt; 24 H,120 °C1.4 Reagents: Hydrogen Peroxide Solvents: Water; 50 °C; 7 H,50 °C
  标题:A Process For Preparing Methylpyridine N-Oxide
  参考文献:China]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Tris(Hydroxymethyl)Aminomethane (Ldh Bonded,K11[la(Pw11O39)2] Intercalated With),Lanthanate(11-),Bis[eicosa-μ-Oxoundecaoxo[μ11-[phosphato(3-)-Ko:Ko:Ko:Ko′:Ko′:K... (Tris(Hydroxymethyl)Aminomethane-Layered Double Hydroxide Intercalated With) Solvents: Water; 6 H,25 °C
  标题:Facile Immobilization Of A Lewis Acid Polyoxometalate Onto Layered Double Hydroxides For Highly Efficient N-Oxidation Of Pyridine-Based Derivatives And Denitrogenation
  作者:Liu,Kai; Yao,Zhixiao; Miras,Haralampos N.; Song,Yu-Fei
  参考文献:Chemcatchem 日期:2015 卷标:7(23) 页码:3903-3910]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Acetic Acid,Hydrogen Peroxide Solvents: Water; 11 H,70 °C; Cooled1.2 Reagents: Sodium Carbonate Solvents: Chloroform,Water
  标题:Method For Synthesizing 2-Pyridinecarboxaldehyde Oxime From 2-Methylpyridine
  参考文献:China]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Carbamide Peroxide,Potassium Carbonate Solvents: 1,4-Dioxane; 1 H,Rt1.2 Reagents: Trifluoroacetic Anhydride; < 12 °C; < 12 °C -> Rt1.3 Rt; Overnight,50 °C
  标题:A Safe,Convenient And Efficient Method For The Preparation Of Heterocyclic N-Oxides Using Urea.Hydrogen Peroxide
  作者:Rong,Dawen; Phillips,Victoria A.; Rubio,Ramon Sanchez; Castro,M. Angeles; Wheelhouse,Richard T.
  参考文献:Tetrahedron Letters 日期:2008 卷标:49(48) 页码:6933-6935]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Tungstate(8-),[μ11-[orthosilicato(4-)-Ko:Ko:Ko:Ko′:Ko′:Ko′:Ko′′:Ko′′:Ko′′:Ko′′′... Solvents: Water; 1 H,90 °C
  标题:Oxidation Of Alcohols And Pyridines By A Water-Soluble Polyoxometalate With Hydrogen Peroxide
  作者:Zhang,Zhenxin; Zhu,Qianqian; Ding,Yong
  参考文献:Synthetic Communications 日期:2013 卷标:43(9) 页码:1211-1218]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Acetic Acid,Hydrogen Peroxide Solvents: Water; 22 H,75 °C1.2 Reagents: Sodium Carbonate Solvents: Water; Ph 10
  标题:Synthesis Of 6-Alkyl-2-Pyridinecarboxaldehyde Derivatives And Their Schiff Bases
  作者:Qiu,Chuan-Jiang; Gao,Yu; Zhang,Yue-Cheng; Zhang,Yi-Ning; Zhao,Ji-Quan
  参考文献:Hecheng Huaxue 日期:2009 卷标:17(4) 页码:410-415]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Acetic Acid,Hydrogen Peroxide Solvents: Water; Overnight,85 °C; 85 °C -> Rt1.2 Catalysts: Palladium
  标题:Preparation Of Substituted Piperazine Derivatives As Ccr1 Receptor Antagonists
  参考文献:World Intellectual Property Organization]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Phthalic Anhydride,Carbamide Peroxide Solvents: Dichloromethane
  标题:Method Of Manufacturing Pyridine N-Oxides
  参考文献:Poland]
  
  109-06-8 = 931-19-1
  反应条件:1.1 Reagents: Urea,Carbamide Peroxide,Hydrogen Peroxide Solvents: Dichloromethane
  标题:An Excellent Method For The Mild And Safe Oxidation Of N-Heteroaromatic Compounds And Tertiary Amines
  作者:Kaczmarek,Lukasz; Balicki,Roman; Nantka-Namirski,Pawel
  参考文献:Chemische Berichte 日期:1992 卷标:125(8) 页码:1965-6

海关参考信息

• 2933310010-吡啶
  2939800000-其他生物碱
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