CAS: 79-16-3; N-Methylacetamide

• ⚠️《化妆品禁用原料目录》
• 英文名称N-Methylacetamide
• 中文名称N-甲基乙酰胺
• IUPAC名称N-methylacetamide
• 其它别名N-Methylacetamide, Purum, >=98.0% (Gc); X 44; Ch3Conhch3; Acetamide, Methyl-; N-Methyl Acetamide; Acetamide, N-Methyl-; N-Methylacetamide(Nma); Acetylmethylamine; Nsc
• CAS编号79-16-3
• MFCD编号:MFCD00008683
• EINECS号:201-182-6
• FDA UNII编号:V0T777481M
• 分子式:C3H7NO
• 分子量:73.09
• 产品CID: 1785972
• 产品分类有机原料 → 氨基化合物 → 酰胺类化合物

• 相似结构搜索
• 产品信息参考;
• InChIKey: OHLUUHNLEMFGTQ-UHFFFAOYSA-N
• InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数0.0

物理性质

• 熔点26-28  °C(文献)
• 沸点125.0±23.0 °C at 760 mmHg
• 闪点46.2±11.9 °C
• 密度0.9±0.1 g/cm3
• PH:7 (H2O)
• pKa:16.61±0.46(预测)
• PSA:29.1
• LogP:-0.09
• 折射率1.410
• 蒸汽压5.8±0.5 mmHg at 25°C
• 溶解性Miscible With Ethanol, Ether, Acetone, Water, Chloroform, Benzene
• 敏感性1. 化学性质：与氯化氢作用能生成两种形式的盐，即CH3CONHCH3·HCl(熔点67.2～69.4°C)和(CH3CONHCH3)2·HCl。与金属钠在室温下几乎不发生反应。与亚硝酸反应生成亚硝基化合物。与乙酸酐回流煮沸生成N-甲基二乙酰胺。受酸或碱的作用，N-甲基乙酰胺都能发生水解。2. 存在于烟气中。
• 外观形态无色固体
• 储存条件惰性气氛,室温
• 产品应用该品为农药,医药等有机合成的中间体.
• 性质描述白色针状结晶.熔点30.55°C(28°C),沸点206°C,140.5°C(12kPa),相对密度0.9571(25/4°C),折光率1.4301,闪点108°C.溶于水,乙醇,苯,醚,氯仿,不溶于石油醚.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别生殖毒性 类别1B
• 警示词Danger(危险)
• 危险描述H360 |可能损害生育能力或胎儿.
  H360D |可能对胎儿造成损害.
• 防范说明P201-P202-P280-P308+P313-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志T
• 安全声明53-45
• 危险类别码61
• WGK Germany2

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 N-Methylacetamide 主要起始原料 Trimethyl Orthoacetate And Methylamine Hydrochloride
• 38100-40-2 = 79-16-3
  反应条件:1.1 Reagents: Potassium Carbonate,1,4-Cyclohexadiene Catalysts: Eosin Solvents: Acetone; 16 H,Rt
  标题:Visible-Light-Mediated Synthesis Of Amidyl Radicals: Transition-Metal-Free Hydroamination And N-Arylation Reactions
  作者:Davies,Jacob; Svejstrup,Thomas D.; Fernandez Reina,Daniel; Sheikh,Nadeem S.; Leonori,Daniele
  参考文献:Journal Of The American Chemical Society 日期:2016 卷标:138(26) 页码:8092-8095]
  
  1445-45-0 + 593-51-1 = 79-16-3
  反应条件:1.1 Solvents: Methanol; 15 Min,Rt -> 135 °C
  标题:Direct Preparation Of Amides From Amine Hydrochloride Salts And Orthoesters: A Synthetic And Mechanistic Perspective
  作者:Di Grandi,Martin J.; Bennett,Caitlin; Cagino,Kristen; Muccini,Arnold; Suraci,Corey; Et Al
  参考文献:Synthetic Communications 日期:2015 卷标:45(22) 页码:2601-2607]
  
  108-22-5 = 79-16-3
  反应条件:1.1 3 H,60 °C
  标题:Isopropenyl Acetate,A Remarkable,Cheap And Acylating Agent Of Amines Under Solvent- And Catalyst-Free Conditions: A Systematic Investigation
  作者:Pelagalli,Romina; Chiarotto,Isabella; Feroci,Marta; Vecchio,Stefano
  参考文献:Green Chemistry 日期:2012 卷标:14(8) 页码:2251-2255]
  
  127-06-0 = 79-16-3
  反应条件:1.1 Catalysts: Phosphorus Pentoxide,Trifluoromethanesulfonic Acid Solvents: Dimethylformamide
  标题:Homogeneous Liquid-Phase Beckmann Rearrangement Of Oximes Catalyzed By Phosphorous Pentoxide And Accelerated By A Fluorine-Containing Strong Acid
  作者:Sato,H.; Yoshioka,H.; Izumi,Y.
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:1999 卷标:149(1-2) 页码:25-32]
  
  127-06-0 = 79-16-3
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid1.2 Solvents: Diethyl Ether1.3 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Facile Ptsh-Catalyzed Beckmann Rearrangement Of Ketoximes In Solid State
  作者:Ponnusamy,S.; Pitchumani,K.
  参考文献:Indian Journal Of Chemistry 日期:1999 卷标:(7) 页码:861-864]
  
  127-06-0 = 79-16-3
  反应条件:1.1 Catalysts: Phosphorus Pentoxide,Trifluoromethanesulfonic Acid Solvents: Dimethylformamide
  标题:Process For Producing Amides By Liquid-Phase Rearrangement Of Oximes Catalyzed By Phosphorus Pentoxide And Dialkyl Amides Or Sulfoxides
  参考文献:European Patent Organization]
  
  = 79-16-3
  反应条件:1.1 Catalysts: Basic Alumina; 25 Min,70 °C
  标题:Nano Rod-Shaped And Reusable Basic Al2O3 Catalyst For N-Formylation Of Amines Under Solvent-Free Conditions: A Novel,Practical And Convenient Nose' Approach
  作者:Das,Vijay Kumar; Devi,Rashmi Rekha; Raul,Prasanta Kumar; Thakur,Ashim Jyoti
  参考文献:Green Chemistry 日期:2012 卷标:14(3) 页码:847-854]
  
  127-06-0 = 79-16-3
  反应条件:1.1 Catalysts: Silica,Sulfuric Acid Solvents: 1,4-Dioxane; 24 H,Rt
  标题:A Novel Method For Beckmann Rearrangement Of Oximes With Silica Sulfuric Acid Under Mild Condition
  作者:Xiao,Lin Fei; Peng,Jia Jian; Xia,Chun Gu
  参考文献:Chinese Chemical Letters 日期:2006 卷标:17(5) 页码:617-620]
  
  127-06-0 = 79-16-3
  反应条件:1.1 Catalysts: Zinc Chloride; 2 H,130 °C
  标题:High-Yield And High-Efficiency Conversion Of Cyclohexanone Oxime To ε-Caprolactam In A Green And Facile Reaction Process Over Deep Eutectic Solvents
  作者:Sun,Shiqin; Liu,Shiwei; Yu,Fengli; Zhang,Jian; Xing,Weiguo; Et Al
  参考文献:Chemical Engineering Science 日期:2022 卷标:253]
  
  127-06-0 = 79-16-3
  反应条件:1.1 Catalysts: 2255309-71-6; 2 H,100 °C
  标题:Reusable Deep Eutectic Solvents For Clean ε-Caprolactam Synthesis Under Mild Conditions
  作者:Sun,Shiqin; Liu,Shiwei; Yu,Fengli; Zhang,Jian; Xing,Weiguo; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2022 卷标:10(4) 页码:1675-1688]
  
  38100-40-2 = 79-16-3
  反应条件:1.1 Reagents: Potassium Carbonate,1,4-Cyclohexadiene Solvents: Acetone; 1.5 H,Rt
  标题:Regioselective Intramolecular Allene Amidation Enabled By An Eda Complex
  作者:Liu,Lu; Ward,Robert M.; Schomaker,Jennifer M.
  参考文献:Chemistry - A European Journal 日期:2020 卷标:26(61) 页码:13783-13787]
  
  13115-24-7 + 87-87-6 = 79-16-3 + 877-13-4 + 87-88-7 + 118-75-2
  反应条件:1.1 Solvents: Water; 1 H,Ph 7.4,37 °C
  标题:An Unexpected New Pathway For Nitroxide Radical Production Via More Reactive Nitrogen-Centered Amidyl Radical Intermediate During Detoxification Of The Carcinogenic Halogenated Quinones By N-Alkyl Hydroxamic Acids
  作者:Zhu,Ben-Zhan; Et Al
  参考文献:Free Radical Biology & Medicine 日期:2020 卷标:146 页码:150-159]
  
  593-77-1 = 79-16-3 + 877-13-4 + 87-88-7 + 118-75-2
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Methanol; 0 °C; 30 Min,0 °C2.1 Solvents: Water; 1 H,Ph 7.4,37 °C
  标题:An Unexpected New Pathway For Nitroxide Radical Production Via More Reactive Nitrogen-Centered Amidyl Radical Intermediate During Detoxification Of The Carcinogenic Halogenated Quinones By N-Alkyl Hydroxamic Acids
  作者:Zhu,Ben-Zhan; Et Al
  参考文献:Free Radical Biology & Medicine 日期:2020 卷标:146 页码:150-159]
  
  53376-60-6 = 79-16-3
  反应条件:1.1 Reagents: Water Catalysts: 1,3-Bis(Diphenylphosphino)Propane,Palladium Trifluoroacetate Solvents: Acetonitrile; 10 Min,Rt1.2 20 H,80 °C
  标题:Hydrolytic Deallylation Of N-Allyl Amides Catalyzed By Pdii Complexes
  作者:Ohmura,Naoya; Nakamura,Asami; Hamasaki,Akiyuki; Tokunaga,Makoto
  参考文献:European Journal Of Organic Chemistry 日期:2008 卷标:(30) 页码:5042-5045]
  
  = 79-16-3
  反应条件:1.1 Catalysts: Magnesium Oxide; 60 Min,70 °C
  标题:Recyclable,Highly Efficient And Low Cost Nano-Mgo For Amide Synthesis Under Sfrc: A Convenient And Greener Nose' Approach
  作者:Das,Vijay Kumar; Devi,Rashmi Rekha; Thakur,Ashim Jyoti
  参考文献:Applied Catalysis 日期:2013 卷标:456 页码:118-125]
  
  53376-60-6 = 79-16-3
  反应条件:1.1 Reagents: Potassium Periodate Catalysts: Dichloro[(1,2,3,6,7,10,11,12-η)-2,6,10-Dodecatriene-1,12-Diyl]Ruthenium Solvents: Water; 3 H,100 °C
  标题:Efficient Tandem Process For The Catalytic Deprotection Of N-Allyl Amides And Lactams In Aqueous Media: A Novel Application Of The Bis(Allyl)-Ruthenium(Iv) Catalysts [ru(η3:η2:η3-C12H18)Cl2] And [{ru(η3:η3-C10H16)(μ-Cl)Cl}2]
  作者:Cadierno,Victorio; Gimeno,Jose; Nebra,Noel
  参考文献:Chemistry - A European Journal 日期:2007 卷标:13(23) 页码:6590-6594]
  
  = 79-16-3
  反应条件:1.1 Catalysts: 1-(4-Sulfobutyl)-3-Methylimidazolium Trifluoromethanesulfonate; 7 H,Reflux
  标题:Synthesis Of Diverse Libraries Of Carboxamides Via Chemoselective N-Acylation Of Amines By Carboxylic Acids Employing Bronsted Acidic Il [bmim(So3H)][otf]
  作者:Savanur,Hemantkumar M.; Malunavar,Shruti S.; Prabhala,Pavankumar; Sutar,Suraj M.; Kalkhambkar,Rajesh G.; Et Al
  参考文献:Tetrahedron Letters 日期:2019 卷标:60(42)]
  
  127-06-0 = 79-16-3
  反应条件:1.1 Catalysts: Methanol,1,1,1-Trifluoro-,1-(Hydrogen Sulfate),Indium(3+) Salt (3:1) Solvents: Acetonitrile
  标题:Indium Trifluoromethanesulfonate (In(Otf)3)-A New Catalyst For Beckmann Rearrangement Of Ketoximes And Facile Dehydration Of Aldoximes
  作者:Barman,Dhiren C.; Gohain,Mukut; Prajapati,Dipak; Sandhu,Jagir S.
  参考文献:Indian Journal Of Chemistry 日期:2002 卷标:(1) 页码:154-156]
  
  127-06-0 = 79-16-3
  反应条件:1.1 Catalysts: Bismuth Trichloride
  标题:Microwave Induced Bismuth Trichloride Catalysed Beckmann Rearrangement Of Oximes
  作者:Thakur,Ashim J.; Boruah,Anima; Prajapati,Dipak; Sandhu,Jagir S.
  参考文献:Synthetic Communications 日期:2000 卷标:30(12) 页码:2105-2111

海关参考信息

• 2912110000-甲醛
  2912120000-乙醛
  2924199090-其他无环酰胺
  2921199090-其他无环单胺
• 💡 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。
• 详情请参考：📖 海关编码查询和海关进出口税则

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