CAS: 94-68-8; N-Ethyl-O-Toluidine

• ⚠️危险化学品目录 类别: 毒害品和感染性物品
• 英文名称N-Ethyl-O-Toluidine
• 中文名称N-乙基甲苯胺
• IUPAC名称N-ethyl-2-methylaniline
• 其它别名N-乙基邻甲苯胺
• CAS编号94-68-8
• MFCD编号:MFCD00026695
• EINECS号:202-354-3
• FDA UNII编号:EJ6BYK4C2E
• 分子式:C9H13N
• 分子量:135.21
• 产品CID: 1999110
• 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
• InChIKey: MWOUGPLLVVEUMM-UHFFFAOYSA-N
• InChI=1S/C9H13N/c1-3-10-9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点-6.87 °C
• 沸点218 °C at 760 mmHg
• 闪点88 °C
• 密度0.938
• pKa:pK1:4.92(＋1) (25°C)
• PSA:12.03
• LogP:2.42682
• 折射率1.546-1.548
• 蒸汽压1 hPa (20 °C)
• 溶解性1G/l
• 敏感性避免与氧化物接触。
• 外观形态无色油状物
• 储存条件存储低于 +30°C.
• 产品应用优乐散的中间体.
• 性质描述沸点218°C,95.5°C/1.3kPa,相对密度0.938,折光率1.5470,闪点88°C.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS06;
  注释: Health hazard & Skull and crossbones
• 危险类别致癌性 类别1B
  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-单次接触 类别1
  水生慢性毒性 类别3
  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
  特定目标器官毒性-重复接触 类别2
  急性毒性 类别2(吸入)
  急性毒性 类别2(经皮)
  急性毒性 类别2(经口)
  急性毒性 类别4(吸入)
  致癌性 类别2
• 警示词Danger(危险)
• 危险描述H350 |可能致癌.
  H331 |吸入会中毒.
  H311 |皮肤接触会中毒.
  H301 |吞咽会中毒.
  H370 |损害器官.
  H412 |对水生生物有害并具有长期持续影响.
  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.
  H373 |长期或反复接触可能损害器官.
  H330 |吸入致命.
  H310 |皮肤接触致命.
  H300 |吞咽致命.
  H351 |怀疑致癌.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501
• 危险等级6.1
• UN编号2754.0
• 危险品标志T
• 包装等级Ⅱ
• 安全声明45-36/37/39-28A-26
• 危险类别码23/24/25-36/37/38
• WGK Germany1

欧盟法规

上下游产品

合成工艺路线路线简述

• 1301630-23-8 = 94-68-8
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: 1,4-Dioxane; 3 H,Rt
  标题:Acylspiro[azetidine-Cyclobutane] Compounds For Inhibiting Monoacylglycerol Lipase (Magl) And Their Preparation
  参考文献:World Intellectual Property Organization]
  
  = 94-68-8
  反应条件:1.1 Catalysts: Bis(1,5-Cyclooctadiene)Nickel,1,1′-(1,2-Ethanediyl)Bis[1,1-Bis(1-Methylethyl)Phosphine; 18 H,150 °C
  标题:Hydrogenation And N-Alkylation Of Anilines And Imines Via Transfer Hydrogenation With Homogeneous Nickel Compounds
  作者:Benitez-Medina,G. Eliad; Garcia,Juventino J.
  参考文献:Dalton Transactions 日期:2019 卷标:48(47) 页码:17579-17587]
  
  = 94-68-8
  反应条件:1.1 Reagents: Ammonium Formate Catalysts: Palladium Solvents: Acetonitrile,Water; 1.3 H,Rt
  标题:Reductive Monoalkylation Of Aromatic And Aliphatic Nitro Compounds And The Corresponding Amines With Nitriles
  作者:Nacario,Ruel; Kotakonda,Shailaja; Fouchard,David M. D.; Tillekeratne,L. M. Viranga; Hudson,Richard A.
  参考文献:Organic Letters 日期:2005 卷标:7(3) 页码:471-474]
  
  = 94-68-8
  反应条件:1.1 Reagents: Fuming Sulfuric Acid; Ph 2.51.2 Catalysts: Zirconium Dioxide (Strontium Hexaferrite/fe 3O 4); 3 H,Rt -> 70 °C; 5.5 H,75 °C1.3 Reagents: Potassium Hydroxide Solvents: Water; Ph 7
  标题:Preparation Of 3-Ethylamino-P-Methylphenol
  参考文献:China]
  
  557-66-4 = 94-68-8
  反应条件:1.1 Reagents: Sodium Tert-Butoxide Catalysts: 1807948-76-0 Solvents: Toluene; 12 H,80 °C1.2 Reagents: Ethyl Acetate
  标题:Nickel-Catalyzed Amination Of Aryl Chlorides With Ammonia Or Ammonium Salts
  作者:Green,Rebecca A.; Hartwig,John F.
  参考文献:Angewandte Chemie 日期:2015 卷标:54(12) 页码:3768-3772]
  
  120-66-1 = 94-68-8
  反应条件:1.1 Reagents: Phenylsilane Solvents: Tetrahydrofuran; 20 H,50 °C; 50 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; 1 H,Rt
  标题:Chelating Bis(1,2,3-Triazol-5-Ylidene) Rhodium Complexes: Versatile Catalysts For Hydrosilylation Reactions
  作者:Nguyen,Thanh V. Q.; Yoo,Woo-Jin; Kobayashi,Shu
  参考文献:Advanced Synthesis & Catalysis 日期:2016 卷标:358(3) 页码:452-458]
  
  = 94-68-8
  反应条件:1.1 Catalysts: Triethylamine,Hydrochloride,2313248-90-5 Solvents: Methanol; 12 H,120 °C
  标题:Alkylation Of Aromatic Amines With Trialkyl Amines Catalyzed By A Defined Iridium Complex With A 2-Hydroxypyridylmethylene Fragment
  作者:Deng,Danfeng; Hu,Bowen; Zhang,Ziyu; Mo,Shengkai; Yang,Min; Et Al
  参考文献:Organometallics 日期:2019 卷标:38(9) 页码:2218-2226]
  
  = 94-68-8
  反应条件:1.1 Reagents: Nickel
  标题:Facile N-Alkylation Of Anilines With Alcohols Over Raney Nickel Under Microwave Irradiation
  作者:Jiang,Yu-Lin; Hu,Yu-Qiao; Feng,Shu-Qing; Wu,Ji-Shan; Wu,Zu-Wang; Et Al
  参考文献:Synthetic Communications 日期:1996 卷标:26(1) 页码:161-4]
  
  = 94-68-8
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: Tris(Dibenzylideneacetone)Dipalladium,Tricyclohexyl[(Dicyclohexylphosphino)(2,4,6-Trimethylphenyl)Methylene]Phosphine Solvents: Tetrahydrofuran; 90 Min,Rt1.2 Reagents: Sodium Chloride Solvents: Water
  标题:Selective Pd-Catalyzed Monoarylation Of Small Primary Alkyl Amines Through Backbone-Modification In Ylide-Functionalized Phosphines (Yphos)
  作者:Rodstein,Ilja; Prendes,Daniel Sowa; Wickert,Leon; Paassen,Maurice; Gessner,Viktoria H.
  参考文献:Journal Of Organic Chemistry 日期:2020 卷标:85(22) 页码:14674-14683]
  
  68253-33-8 + 87875-79-4 = 94-68-8
  反应条件:1.1 Reagents: Phenylsilane Catalysts: Tris(Pentafluorophenyl)Borane Solvents: Toluene-D8; 20 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Tert-Butyl Methyl Ether,Water; 12 H,Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; 4 H,Rt
  标题:Mild Reductive Rearrangement Of Oximes And Oxime Ethers To Secondary Amines With Hydrosilanes Catalyzed By B(C6F5)3
  作者:Fang,Huaquan; Wang,Guoqiang; Oestreich,Martin
  参考文献:Organic Chemistry Frontiers 日期:2021 卷标:8(13) 页码:3280-3285]
  
  120-66-1 = 94-68-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: P-Toluenesulfonic Acid,Boron Trifluoride Etherate,(Oc-6-33)-Carbonyl[1,1′-[2-[(Diphenylphosphino-Kp)Methyl]-2-Methyl-1,3-Propanedi... Solvents: Tetrahydrofuran; 16 H,50 Atm,120 °C
  标题:Boron Lewis Acid Promoted Ruthenium-Catalyzed Hydrogenation Of Amides: An Efficient Approach To Secondary Amines
  作者:Yuan,Ming-Lei; Xie,Jian-Hua; Zhou,Qi-Lin
  参考文献:Chemcatchem 日期:2016 卷标:8(19) 页码:3036-3040]
  
  = 94-68-8
  反应条件:1.1 Catalysts: Platinum,Titania Solvents: Ethanol; 150 Min,25 °C
  标题:Factors Affecting The Selectivity Of The Photocatalytic Conversion Of Nitroaromatic Compounds Over Tio2 To Valuable Nitrogen-Containing Organic Compounds
  作者:Hakki,Amer; Dillert,Ralf; Bahnemann,Detlef W.
  参考文献:Physical Chemistry Chemical Physics 日期:2013 卷标:15(8) 页码:2992-3002]
  
  = 94-68-8
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid,Sulfuric Acid,Phosphorus Trichloride
  标题:Bulk-Scale Preparation Of Ethyl 2-[3,6-Bis(N-Ethylamino)-2,7-Dimethyl-3-Hydroxanth-9-Yl]Benzoate Hydrochloride
  参考文献:China]
  
  = 94-68-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol
  标题:Preparation Of Aromatic Secondary Amines From Nitro Compounds And Nitriles
  参考文献:Japan]
  
  = 94-68-8
  反应条件:1.1 Reagents: Sodium
  标题:N-Ethylpiperidine
  作者:Wollensak,J.; Closson,R. D.
  参考文献:Organic Syntheses 日期:1963 卷标:43 页码:45-8]
  
  74965-31-4 = 94-68-8
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran1.2 -1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:Selective Monoalkylation Of Amines
  作者:Dalla Croce,Piero; La Rosa,Concetta; Ritieni,Alberto
  参考文献:Journal Of Chemical Research 日期:1988 卷标:(10) 页码:346-7]
  
  = 94-68-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 24 H,20 °C
  标题:Selective N-Alkylation Of Amines Using Nitriles Under Hydrogenation Conditions: Facile Synthesis Of Secondary And Tertiary Amines
  作者:Ikawa,Takashi; Fujita,Yuki; Mizusaki,Tomoteru; Betsuin,Sae; Takamatsu,Haruki; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2012 卷标:10(2) 页码:293-304]
  
  = 94-68-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Borate(1-),Tetrafluoro-,Cobalt(2+) (2:1),1671080-01-5 Solvents: 1,4-Dioxane; 24 H,40 Bar,100 °C
  标题:Tailored Cobalt-Catalysts For Reductive Alkylation Of Anilines With Carboxylic Acids Under Mild Conditions
  作者:Liu,Weiping; Sahoo,Basudev; Spannenberg,Anke; Junge,Kathrin; Beller,Matthias
  参考文献:Angewandte Chemie 日期:2018 卷标:57(36) 页码:11673-11677]
  
  = 94-68-8
  反应条件:1.1 Reagents: Hydrogen,Polyethylene Glycol Mono(4-Tert-Octylphenyl) Ether Catalysts: Palladium,Lipase Calb (Candida Antarctica); 12 H,25 °C
  标题:A Facile,One-Pot Reductive Alkylation Of Aromatic And Heteroaromatic Amines In Aqueous Micellar Media: A Chemoenzymatic Approach
  作者:Ganesh,Krithika; Sambasivam,Ganesh; S,Karthikeyan
  参考文献:Organic & Biomolecular Chemistry 日期:2023 卷标:21(20) 页码:4264-4268]
  
  = 94-68-8
  反应条件:1.1 Reagents: Ammonium Formate Catalysts: Palladium Solvents: Isopropanol,Water; 5 Min,Rt1.2 45 Min,Rt
  标题:On The Asymmetric Iridium-Catalyzed N-Allylation Of Amino Acid Esters: Improved Selectivities Through Structural Variation Of The Chiral Phosphoramidite Ligand
  作者:Albat,Dominik; Kocher,Alicia; Witt,Julia; Schmalz,Hans-Guenther
  参考文献:European Journal Of Organic Chemistry 日期:2022 卷标:2022(12)

海关参考信息

• 2902300000-甲苯
  2901100000-饱和无环烃
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