CAS: 93-90-3; 2-(Methyl(Phenyl)Amino)Ethanol

• 英文名称2-(Methyl(Phenyl)Amino)Ethanol
• 中文名称N-甲基-N-羟乙基苯胺
• IUPAC名称2-(methyl(phenyl)amino)ethan-1-ol
• 其它别名2-(N-甲基苯胺基)乙醇; N2羟乙基n甲基苯胺; N-Methyl-N-Phenylethanolanine
• CAS编号93-90-3
• MFCD编号:MFCD00020572
• EINECS号:202-285-9
• FDA UNII编号:48PV5540EO
• 分子式:C9H13NO
• 分子量:151.21
• 产品CID: 1982074
• 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: VIIZJXNVVJKISZ-UHFFFAOYSA-N
• InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数3.0

物理性质

• 熔点77 °C
• 沸点262.2 °C at 760 mmHg
• 闪点>110°C
• 密度1.1±0.1 g/cm3
• pKa:14.79±0.10(预测)
• PSA:23.47
• LogP:1.1151
• 折射率1.575
• 蒸汽压0.0±0.6 mmHg at 25°C
• 外观形态淡黄色至棕色透明液体
• 储存条件请置于阴暗处, 惰性气氛中,室温
• 产品应用染料阳离子蓝X-GRRL,阳离子桃红FG的中间体.
• 性质描述浅黄色油状透明液体.溶于乙醇,醚,微溶于水.

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
• 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.
• 防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36
• 危险类别码36/37/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 96-49-1 = 93-90-3
  反应条件:1.1 Reagents: Triglyme; 6 H,160 °C; 160 °C -> Rt
  标题:Synthesis Of β-Amino Alcohols From Aromatic Amines And Alkylene Carbonates Using Na-Y Zeolite Catalyst
  作者:Shivarkar,Anandkumar B.; Gupte,Sunil P.; Chaudhari,Raghunath V.
  参考文献:Synlett 日期:2006 卷标:(9) 页码:1374-1378]
  
  = 93-90-3
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; Rt1.2 Solvents: Water; 5 Min,Cooled
  标题:Application Of N-Aryl Ethanolamines As N,O-Ligand In Nickel(Ii)-Catalyzed Carbon-Carbon Bond Formation In Heck Coupling Reactions
  作者:Bhange,Dattatraya S.; Sonawane,Rahul B.; Rasal,Nishant K.; Jagtap,Sangeeta V.
  参考文献:Chemistryselect 日期:2020 卷标:5(33) 页码:10387-10390]
  
  122-98-5 = 93-90-3
  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]
  
  75-21-8 = 93-90-3
  反应条件:1.1 Catalysts: Potassium Bisulfate
  标题:Preparation Of N-Alkyl-N-Hydroxyalkylanilines
  参考文献:Japan]
  
  56-81-5 = 93-90-3
  反应条件:1.1 Catalysts: Bis(Dichloro(η6-P-Cymene)Ruthenium),(Sp-4-2)-[1,1′-Bis(Dicyclohexylphosphino-Kp)Ferrocene]Dichloropalladium Solvents: 1,4-Dioxane; 1 H,110 °C; 110 °C -> Rt1.2 Catalysts: N-Methyl-2-Thiophenemethanamine Solvents: Water; 0.5 H,110 °C1.3 Reagents: Potassium Tert-Butoxide Solvents: 1,4-Dioxane; 20 H,150 °C
  标题:Ru-Catalyzed Switchable N-Hydroxyethylation And N-Acetonylation With Crude Glycerol
  作者:Xin,Zhuo; Jia,Le; Huang,Yuxing; Du,Chen-Xia; Li,Yuehui
  参考文献:Chemsuschem 日期:2020 卷标:13(8) 页码:2007-2011]
  
  122-98-5 = 93-90-3
  反应条件:1.1 Reagents: Poly(Methylhydrosiloxane) Catalysts: Lauryldimethylaminoacetic Acid Betaine Solvents: Acetonitrile; 12 H,70 °C
  标题:Method For Preparing Methylamine With Aromatic Amine,Carbon Dioxide And Polymethylsiloxane Via Aminomethylation In The Catalyst 2-(Dodecyldimethylammonio)Acetate
  参考文献:China]
  
  122-98-5 = 93-90-3
  反应条件:1.1 Reagents: Phenylsilane Catalysts: Platinum Solvents: Toluene; 15 H,80 °C1.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:Method For N Methylation Of Amine Or Imine,And Application Thereof
  参考文献:China]
  
  96-49-1 = 93-90-3
  反应条件:1.1 Solvents: Triglyme; Rt -> 160 °C; 6 H,160 °C
  标题:A Process For The Preparation Of β-Amino Alcohol Derivatives
  参考文献:India]
  
  122-98-5 = 93-90-3
  反应条件:1.1 Reagents: Phenylsilane Catalysts: 2903426-60-6 Solvents: P-Xylene; 12 H,80 °C1.2 Reagents: Sodium Hydroxide Solvents: Ethyl Acetate,Water; 30 Min
  标题:Iridium-Catalyzed Reductive Amination Of Carboxylic Acids
  作者:Ouyang,Lu; Miao,Rui; Yang,Zhanhui; Luo,Renshi
  参考文献:Journal Of Catalysis 日期:2023 卷标:418 页码:283-289]
  
  21911-74-0 = 93-90-3
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; Rt
  标题:Access To α-Amino Acid Esters Through Palladium-Catalyzed Oxidative Amination Of Vinyl Ethers With Hydrogen Peroxide As The Oxidant And Oxygen Source
  作者:Ouyang,Lu; Li,Jianxiao; Zheng,Jia; Huang,Jiuzhong; Qi,Chaorong; Et Al
  参考文献:Angewandte Chemie 日期:2017 卷标:56(50) 页码:15926-15930]
  
  122-98-5 = 93-90-3
  反应条件:1.1 Reagents: Poly(Methylhydrosiloxane) Catalysts: Tris(Pentafluorophenyl)Borane Solvents: Butyl Ether; 8 H,100 °C1.2 Reagents: Sodium Hydroxide Solvents: Ethyl Acetate,Water; 3 H,Rt
  标题:Boron-Catalyzed N-Alkylation Of Amines Using Carboxylic Acids
  作者:Fu,Ming-Chen; Shang,Rui; Cheng,Wan-Min; Fu,Yao
  参考文献:Angewandte Chemie 日期:2015 卷标:54(31) 页码:9042-9046]
  
  624-76-0 = 93-90-3
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Dimethylformamide; 5 Min,Rt; 12 H,Rt -> 70 °C
  标题:Cu-Catalyzed Oxidative Povarov Reactions Between N-Alkyl N-Methylanilines And Saturated Oxa- And Thiacycles
  作者:Kawade,Rahul Kisan; Huple,Deepak B.; Lin,Rong-Jing; Liu,Rai-Shung
  参考文献:Chemical Communications (Cambridge 日期:2015 卷标:51(30) 页码:6625-6628]
  
  21911-74-0 = 93-90-3
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; Rt -> 0 °C1.2 0 °C; 1 H,Rt; 4 H,Reflux; Reflux -> 0 °C1.3 Reagents: Sodium Chloride Solvents: Water
  标题:Reversal Of Aryl Bromide Reactivity In Pd-Catalyzed Aryl Amination Reactions Promoted By A Hemilabile Amino Phosphine Ligand
  作者:Parisel,Sebastien L.; Adrio,Luis Angel; Pereira,Adriana Amoedo; Perez,Marta Marino; Vila,Jose M.; Et Al
  参考文献:Tetrahedron 日期:2005 卷标:61(41) 页码:9822-9826]
  
  21911-74-0 = 93-90-3
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 18 H,Rt1.2 Reagents: Ethyl Acetate
  标题:Preparation Of Substituted Aniline Derivatives As Liver X-Receptor Modulators
  参考文献:World Intellectual Property Organization]
  
  58-86-6 = 93-90-3
  反应条件:1.1 Catalysts: Ruthenium,[(1,2,5,6-η)-1,5-Cyclooctadiene]Bis[(1,2,3-η)-2-Methyl-2-Propenyl]-,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: 1,4-Dioxane; 10 Min,Rt1.2 Reagents: Acetic Acid Solvents: 1,4-Dioxane; 16 H,Rt -> 150 °C
  标题:Direct Hydroxyethylation Of Amines By Carbohydrates Via Ruthenium Catalysis
  作者:Jia,Le; Makha,Mohamed; Du,Chen-Xia; Quan,Zheng-Jun; Wang,Xi-Cun; Et Al
  参考文献:Green Chemistry 日期:2019 卷标:21(11) 页码:3127-3132]
  
  122-98-5 = 93-90-3
  反应条件:1.1 Reagents: Diphenylsilane Catalysts: Betaine Solvents: Acetonitrile; Rt; 12 H,1 Bar,70 °C
  标题:Betaine Catalysis For Hierarchical Reduction Of Co2 With Amines And Hydrosilane To Form Formamides,Aminals,And Methylamines
  作者:Liu,Xiao-Fang; Li,Xiao-Ya; Qiao,Chang; Fu,Hong-Chen; He,Liang-Nian
  参考文献:Angewandte Chemie 日期:2017 卷标:56(26) 页码:7425-7429]
  
  122-98-5 = 93-90-3
  反应条件:1.1 Catalysts: 1,3-Bis(Diphenylphosphino)Propane,Tris(Tetramethyldivinyldisiloxane)Diplatinum Solvents: Butyl Ether; 10 Min,Rt1.2 Reagents: Phenylsilane; 18 H,Rt1.3 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; Rt; 3 H,Rt
  标题:General Catalytic Methylation Of Amines With Formic Acid Under Mild Reaction Conditions
  作者:Sorribes,Ivan; Junge,Kathrin; Beller,Matthias
  参考文献:Chemistry - A European Journal 日期:2014 卷标:20(26) 页码:7878-7883]
  
  122-98-5 = 93-90-3
  反应条件:1.1 Reagents: Poly(Methylhydrosiloxane) Catalysts: Tripotassium Phosphate,18-Crown-6 Solvents: Acetonitrile; 72 H,80 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 1 Atm
  标题:Scalable Direct N-Methylation Of Drug-Like Amines Using 12Co2/13Co2 By Simple Inorganic Base Catalysis
  作者:Lu,Chunlei; Qiu,Zetian; Zhu,Yiling; Lin,Bo-Lin
  参考文献:Science Bulletin 日期:2019 卷标:64(11) 页码:723-729]
  
  122-98-5 = 93-90-3
  反应条件:1.1 Reagents: Phenylsilane Catalysts: Platinum Solvents: Toluene; Rt -> 80 °C; 15 H,80 °C; 80 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Ethyl Acetate,Water; Rt
  标题:Methylation Of Aromatic Amines And Imines Using Formic Acid Over A Heterogeneous Pt/c Catalyst
  作者:Zhu,Lei; Wang,Lian-Sheng; Li,Bojie; Li,Wei; Fu,Boqiao
  参考文献:Catalysis Science & Technology 日期:2016 卷标:6(16) 页码:6172-6176

海关参考信息

• 2922110001-单乙醇胺
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