CAS: 88-05-1; 2,4,6-Trimethylaniline

• 英文名称2,4,6-Trimethylaniline
• 中文名称2,4,6-三甲基苯胺
• IUPAC名称2,4,6-trimethylaniline
• 其它别名均三甲苯胺; Mesidine
• CAS编号88-05-1
• MFCD编号:MFCD00007740
• EINECS号:201-794-3
• FDA UNII编号:YIR5CRL5BG
• 分子式:C9H13N
• 分子量:135.21
• 产品CID: 2396604
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: KWVPRPSXBZNOHS-UHFFFAOYSA-N
• InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3…
• 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-5°C
• 沸点231.3°C at 760 mmHg
• 闪点96°C
• 密度1.0±0.1 g/cm3
• pKa:pK1:4.38(+1) (25°C)
• PSA:26.02
• LogP:2.19406
• 折射率1.553
• 蒸汽压0.1±0.5 mmHg at 25°C
• 溶解性Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
• 敏感性1. 存在于香料烟烟叶、烟气中。
• 外观形态透明棕色液体 (透明)
• 储存条件请置于阴暗处, 惰性气氛中,室温
• 产品应用弱酸性染料普拉兰RAW的中间体.
• 性质描述淡黄色油状物.沸点232-233°C,108-110°C(1.47kPa),闪点96°C,相对密度0.963,折光率1.551,98工业品的熔点-4--2°C.

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 危险类别急性毒性 类别2(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  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1(吸入)
  急性毒性 类别3(吸入)
  急性毒性 类别3(经皮)
  急性毒性 类别3(经口)
  特定目标器官毒性-重复接触 类别2
  致癌性 类别2
  水生慢性毒性 类别2
  致突变性 类别2
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H330 |吸入致命.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  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.
  H331 |吸入会中毒.
  H311 |皮肤接触会中毒.
  H301 |吞咽会中毒.
  H373 |长期或反复接触可能损害器官.
  H351 |怀疑致癌.
  H411 |对水生生物有毒并具有长期持续影响.
  H341 |怀疑导致遗传缺陷.
• 防范说明P260-P264-P270-P271-P280-P284-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 危险等级6.1
• UN编号2810.0
• 危险品标志T+,T
• 包装等级Ⅱ
• 安全声明26-28-36/37-45-28A
• 危险类别码21/22-26-36/38-33-23/24/25
• WGK Germany3.0

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 2,4,6-Trimethylaniline 主要起始原料 Tert-Butyl (Mesitylsulfonyl)Oxycarbamate And Mesitylene
• 603-71-4 = 88-05-1
  反应条件:1.1 Reagents: Hydrogen Catalysts: Iron Oxide (Fe2O3) (Reaction Product With Vulcan Xc72R And 1,10-Phenanthroline) Solvents: Tetrahydrofuran,Water; 24 H,50 Bar,120 °C
  标题:Hydrogenation Using Iron Oxide-Based Nanocatalysts For The Synthesis Of Amines
  作者:Jagadeesh,Rajenahally V.; Et Al
  参考文献:Nature Protocols 日期:2015 卷标:10(4) 页码:548-557]
  
  = 88-05-1
  反应条件:1.1 Reagents: [(1,1-Dimethylethoxy)Carbonyl]Azanyl 4-Methylbenzenesulfonate Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 36 H,Rt
  标题:A Metal-Free Direct Arene C-H Amination
  作者:Wang,Tao; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2021 卷标:363(11) 页码:2783-2795]
  
  576-83-0 = 88-05-1
  反应条件:1.1 Reagents: Sodium Tert-Butoxide Catalysts: Palladium Diacetate,1H-Imidazolium,1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-2-[(Dicyclohexylphosphino)... Solvents: 1,4-Dioxane; 10 Min,Rt1.2 Reagents: Ammonia Solvents: 1,4-Dioxane; 24 H,10 Bar,120 °C
  标题:Recyclable Catalysts For Palladium-Catalyzed Aminations Of Aryl Halides
  作者:Dumrath,Andreas; Et Al
  参考文献:Chemistry - A European Journal 日期:2011 卷标:17(35) 页码:9599-9604]
  
  576-83-0 = 88-05-1
  反应条件:1.1 Reagents: Sodium Tert-Butoxide,Ammonia Catalysts: Palladium Diacetate,2-[bis(1,1-Dimethylethyl)Phosphino]-4,5-Diphenyl-1-(2,4,6-Trimethylphenyl)-1H-Im... Solvents: 1,4-Dioxane; 5 Min,10 Bar,Rt; Rt -> 120 °C; 24 H,120 °C
  标题:A General Palladium-Catalyzed Amination Of Aryl Halides With Ammonia
  作者:Schulz,Thomas; Et Al
  参考文献:Chemistry - A European Journal 日期:2009 卷标:15(18) 页码:4528-4533]
  
  5980-97-2 = 88-05-1
  反应条件:1.1 Reagents: Trifluoroacetic Acid,[(1,1-Dimethylethoxy)Carbonyl]Azanyl 4-Methylbenzenesulfonate Solvents: 1,2-Dichloroethane; 5 H,Rt
  标题:Metal-Free Direct Transformation Of Aryl Boronic Acid To Primary Amines
  作者:Kumar,Puneet; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2022 卷标:2022(27)]
  
  5980-97-2 = 88-05-1
  反应条件:1.1 Reagents: Cesium Carbonate,O-(2,4-Dinitrophenyl)Hydroxylamine Solvents: 1,2-Dichloroethane; 48 H,25 °C
  标题:Elusive Metal-Free Primary Amination Of Arylboronic Acids: Synthetic Studies And Mechanism By Density Functional Theory
  作者:Zhu,Chen; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2012 卷标:134(44) 页码:18253-18256]
  
  2991865-01-9 = 88-05-1
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Dichloromethane; 1 Bar,-78 °C; 2 H,40 °C
  标题:Nitrenium Ions As New Versatile Reagents For Electrophilic Amination
  作者:Avigdori,Idan; Et Al
  参考文献:Chemical Science 日期:2023 卷标:14(43) 页码:12034-12040]
  
  13636-54-9 = 88-05-1
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Acetic Acid
  标题:The Fischer Reaction Of Cyclohexanone Mesitylhydrazone. Evidence Of A 1,4-Methyl Migration
  作者:Carlin,Robert B.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1962 卷标:84 页码:4107-12]
  
  1667-04-5 = 88-05-1 [标题:Reaction Conditions
  标题:Product Ratios Dependent On And Independent Of The Left Group In A Single Series: Potassium Metal-Provoked Reactions Of Aryl Halides With Amide And Acetone Enolate Ions That Occur During Mixing
  作者:Tremelling,Michael J.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1980 卷标:102(24) 页码:7375-7]
  
  480-63-7 = 88-05-1
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid,Azidotrimethylsilane Solvents: Ethanol,Chloroform,Water; 3.6 Min,90 °C1.2 Reagents: Methanol Solvents: Water; 5 Min,Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized,Rt
  标题:Continuous-Flow Electrophilic Amination Of Arenes And Schmidt Reaction Of Carboxylic Acids Utilizing The Superacidic Trimethylsilyl Azide/triflic Acid Reagent System
  作者:Chen,Yuesu; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2016 卷标:81(19) 页码:9372-9380]
  
  14874-70-5 + 478774-58-2 = 88-05-1
  反应条件:1.1 Reagents: Potassium Tert-Butoxide,Ammonia Catalysts: 2,9-Dichloro-1,10-Phenanthroline,Tetrakis(Acetonitrile)Copper(1+) Hexafluorophosphate,Iridium(1+),[4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine-Kn1,Kn1′]Bis[2-(2-Pyri... Solvents: Methanol; 12 H,25 °C1.2 Reagents: Sodium Chloride Solvents: Water
  标题:Photoinduced Arene C-H Amination With Ammonia: A Practical And Regioselective Strategy For Primary Amines
  作者:Tan,Xiaobin; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2023 卷标:365(13) 页码:2165-2170]
  
  2633-66-1 = 88-05-1
  反应条件:1.1 Reagents: Vitride,Diphenylphosphoryl Azide Solvents: Diethyl Ether,Toluene
  标题:Electrophilic Amination Of Carbanions,Enolates,And Their Surrogates
  作者:Ciganek,Engelbert
  参考文献:Organic Reactions (Hoboken 日期:2008 卷标:72 页码:1-366]
  
  = 88-05-1
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid1.2 Reagents: Azidotrimethylsilane
  标题:Trimethylsilyl Azide/triflic Acid,A Highly Efficient Electrophilic Aromatic Amination Reagent
  作者:Olah,George A.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1989 卷标:54(5) 页码:1203-4]
  
  = 88-05-1
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Toluene; 1 H,Rt1.2 Reagents: 2,4,6-Tris(4-Methylphenoxy)-1,3,5-Triazine; 1 H,Rt; 10 H,110 °C1.3 Reagents: Ammonium Carbonate,Tripotassium Phosphate Catalysts: (T-4)-[1,1′-Bis(Diphenylphosphino-Kp)Ferrocene]Dichloronickel Solvents: 1,4-Dioxane; 12 H,100 °C
  标题:Direct Nickel-Catalyzed Amination Of Phenols Via C-O Bond Activation Using 2,4,6-Trichloro-1,3,5-Triazine (Tct) As Reagent
  作者:Iranpoor,Nasser; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2014 卷标:356(14-15) 页码:3067-3073]
  
  5692-66-0 = 88-05-1
  反应条件:1.1 Reagents: Methanol,Cesium Carbonate Catalysts: 2907709-74-2; 24 H,140 °C
  标题:In-Depth Experimental And Theoretical Investigations On Co-Sac Catalyzed Transfer Hydrogenation Of Azo Compounds Using Methanol And Ethanol
  作者:Panja,Dibyajyoti; Et Al
  参考文献:Chemrxiv 日期:2023 卷标:1 页码:1-18]
  
  5692-66-0 = 88-05-1
  反应条件:1.1 Reagents: Methanol,Cesium Carbonate Catalysts: 2691904-39-7; 24 H,140 °C
  标题:Co-Sac Catalyzed Utilization Of Methanol And Ethanol In The Transfer Hydrogenation Of Azo Bonds: Experimental And Theoretical Studies
  作者:Panja,Dibyajyoti; Et Al
  参考文献:Green Chemistry 日期:2023 卷标:25(22) 页码:9374-9387]
  
  13021-14-2 = 88-05-1
  反应条件:1.1 Reagents: Triethylamine Catalysts: (Oc-6-14)-[[2,3-Butanedione 2,3-Di(Oximato-Kn)](1-)][2,3-Butanedione 2,3-Di(Oxim...,Iridium(1+),[4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine-Kn1,Kn1′]Bis[2-(2-Pyri... Solvents: Acetonitrile; Rt -> -78 °C; 24 H,-78 °C
  标题:Minimization Of Back-Electron Transfer Enables The Elusive Sp3 C-H Functionalization Of Secondary Anilines
  作者:Zhao,Huaibo; Et Al
  参考文献:Angewandte Chemie 日期:2021 卷标:60(14) 页码:7669-7674]
  
  603-71-4 = 88-05-1
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel; Rt -> 130 °C; 2 H,120 - 130 °C
  标题:Solvent-Free Hydrogenation Reduction Process Of Nitrobenzene With Or Without Halogen
  参考文献:China]
  
  603-71-4 = 88-05-1
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Tetrahydrofuran; 12 H,1 Atm,Rt
  标题:Bis(Tridentate) Ruthenium-Terpyridine Complexes Featuring Microsecond Excited-State Lifetimes
  作者:Brown,Douglas G.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2012 卷标:134(30) 页码:12354-12357]
  
  = 88-05-1
  反应条件:1.1 Reagents: Trifluoroacetic Acid,Trifluoromethanesulfonic Acid,Hydrazoic Acid Solvents: Chloroform
  标题:Efficient Direct Aromatic Amination By Hydrazoic Acid In The Presence Of Both Trifluoromethanesulfonic Acid And Trifluoroacetic Acid
  作者:Takeuchi,Hiroshi; Et Al
  参考文献:Journal Of The Chemical Society 日期:1991 卷标:(21) 页码:1524-5]
  
  576-83-0 = 88-05-1
  反应条件:1.1 Reagents: Sodium Azide Catalysts: N,N′-Dimethylethylenediamine,Cuprous Iodide Solvents: Dimethyl Sulfoxide; 10 H,100 °C1.2 Reagents: Ammonium Chloride Solvents: Ethyl Acetate,Water; 22 °C; 1 H,22 °C
  标题:Synthesis Of Primary Aryl Amines Through A Copper-Assisted Aromatic Substitution Reaction With Sodium Azide
  作者:Markiewicz,John T.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2010 卷标:75(14) 页码:4887-4890]
  
  1667-01-2 = 88-05-1
  反应条件:1.1 Reagents: Ethyl N-[(Phenylsulfonyl)Oxy]Ethanimidate Catalysts: P-Toluenesulfonic Acid Solvents: Methanol; 24 H,23 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Deacetylative Amination Of Acetyl Arenes And Alkanes With C-C Bond Cleavage
  作者:Hyodo,Kengo ; Et Al
  参考文献:Organic Letters 日期:2019 卷标:21(8) 页码:2818-2822]
  
  137129-03-4 = 88-05-1
  反应条件:1.1 Reagents: Formic Acid,Potassium Hydroxide Solvents: Ethanol; 1 H,70 °C
  标题:Catalytic Transfer Hydrodebenzylation With Low Palladium Loading
  作者:Yakukhnov,Sergey A.; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2019 卷标:361(20) 页码:4781-4789]
  
  5980-97-2 = 88-05-1
  反应条件:1.1 Reagents: Ammonium Hydroxide,Oxygen Catalysts: Copper Oxide (Cu2O) Solvents: Methanol,Water; 12 H,Rt
  标题:Easy Copper-Catalyzed Synthesis Of Primary Aromatic Amines By Coupling Aromatic Boronic Acids With Aqueous Ammonia At Room Temperature
  作者:Rao,Honghua; Et Al
  参考文献:Angewandte Chemie 日期:2009 卷标:48(6) 页码:1114-1116]
  
  14213-00-4 = 88-05-1
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Catalysts: Cobalt Phthalocyanine Solvents: Methanol; 30 Min,30 °C
  标题:Single-Atom Cobalt-Catalyzed Transfer Hydrogenation Of Azides And One-Pot Synthesis Of Pyrroles
  作者:Panja,Dibyajyoti; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2023 卷标:365(17) 页码:2959-2968]
  
  14213-00-4 = 88-05-1
  反应条件:1.1 Reagents: Phenylacetylene Catalysts: Bis[[n,N′-[1,3-Bis(1,1-Dimethylethyl)-1,3-Propanediylidene]Bis[2,6-Bis(1-Methyle... Solvents: Benzene-D6; 30 Min,23 °C
  标题:Iron-Catalyzed Alkyne Carboamination Via An Isolable Iron Imide Complex
  作者:Richards,Corey A.; Et Al
  参考文献:Organometallics 日期:2021 卷标:40(17) 页码:2945-2950]
  
  67565-93-9 = 88-05-1 [标题:Reaction Conditions
  标题:Amination Reactions Of Aryl Halides With Nitrogen-Containing Reagents Mediated By Palladium/imidazolium Salt Systems
  作者:Grasa,Gabriela A.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2001 卷标:66(23) 页码:7729-7737]
  
  356031-47-5 = 88-05-1
  反应条件:1.1 Reagents: Sodium Tert-Butoxide,Ammonia Catalysts: Bis[tris(2-Methylphenyl)Phosphine]Palladium,Sl-J009-1 Solvents: 1,4-Dioxane; 12 - 24 H,50 °C
  标题:Palladium-Catalyzed Coupling Of Ammonia With Aryl Chlorides,Bromides,Iodides,And Sulfonates: A General Method For The Preparation Of Primary Arylamines
  作者:Vo,Giang D.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(31) 页码:11049-11061]
  
  1667-04-5 = 88-05-1
  反应条件:1.1 Reagents: Sodium Tert-Butoxide,Ammonium Sulfate Catalysts: Bis(1,5-Cyclooctadiene)Nickel,Phosphorous Trichloride,Polymer With 1,3,5-Triazine-2,4,6(1H,3H,5H)-Trione Solvents: Polyethylene Glycol; 12 H,100 °C
  标题:A Triazine-Phosphite Polymeric Ligand Bearing Cage-Like P,N-Ligation Sites: An Efficient Ligand In The Nickel-Catalyzed Amination Of Aryl Chlorides And Phenols
  作者:Panahi,Farhad; Et Al
  参考文献:Rsc Advances 日期:2016 卷标:6(84) 页码:80670-80678]
  
  94564-97-3 + 16722-51-3 = 88-05-1
  反应条件:1.1 Reagents: Sodium Hydroxide,Ammonium Hydroxide Solvents: Water; 2 H,80 °C; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate,Water; Acidified
  标题:Simple And Efficient Amination Of Diaryliodonium Salts With Aqueous Ammonia In Water Without Metal-Catalyst
  作者:Li,Jian; Et Al
  参考文献:Rsc Advances 日期:2012 卷标:2(28) 页码:10485-10487]
  
  2633-66-1 = 88-05-1
  反应条件:1.1 Reagents: (1R,2S,2′s,4S)-1,3,3-Trimethylspiro[bicyclo[2.2.1]Heptane-2,3′-Oxaziridine],(1R,2S,2′r,4S)-1,3,3-Trimethylspiro[bicyclo[2.2.1]Heptane-2,3′-Oxaziridine] Solvents: Toluene; 3 H,-45 °C1.2 Reagents: Ammonium Chloride Solvents: Water
  标题:Rapid Heteroatom Transfer To Arylmetals Utilizing Multifunctional Reagent Scaffolds
  作者:Gao,Hongyin; Et Al
  参考文献:Nature Chemistry 日期:2017 卷标:9(7) 页码:681-688

海关参考信息

• 2902300000-甲苯
• 💡 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

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