CAS: 97-69-8; Acetyl-L-Alanine

• 英文名称Acetyl-L-Alanine
• 中文名称N-乙酰-L-丙氨酸
• IUPAC名称acetyl-L-alanine
• 其它别名2-Acetamidopropanoic acid; N-Acetyl-L-alanine
• CAS编号97-69-8
• MFCD编号:MFCD00063132
• EINECS号:202-602-0
• 分子式:C5H9NO3
• 分子量:131.13
• 产品CID: 2022672
• 产品分类有机原料→生命科学→氨基酸及其衍生物→丙氨酸及其衍生物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: KTHDTJVBEPMMGL-VKHMYHEASA-N
• InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数2.0

相似化合物

物理性质

• 熔点125-126°C
• 沸点369.7°C at 760 mmHg
• 闪点177.4±23.2 °C
• 密度1.2±0.1 g/cm3
• pKa:3.69±0.10(预测)
• PSA:66.4
• LogP:-0.4044
• 折射率1.455
• 蒸汽压0.0±1.8 mmHg at 25°C
• 溶解性DMSO (Slightly), Water (Slightly)
• 敏感性避免与氧化剂接触。
• 外观形态白色至类白色固体
• 储存条件2-8°C
• 产品应用该化合物用于研究其对细胞外科和线粒体减少氧化敏感绿色荧光蛋白(ROGFP)的影响.

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
  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.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-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36/37/38-36
• WGK Germany3

欧盟法规

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合成工艺路线路线简述

• 35356-70-8 = 97-69-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Rhodium(1+),Bis[(2,3,5,6-η)-Bicyclo[2.2.1]Hepta-2,5-Diene]-,Tetrafluoroborate(...,Ferrocene,1′-[n-(2,6-Dimethylphenyl)-P,P-Diphenylphosphinimyl]-1-(Diphenylphosp... Solvents: Methanol; 24 H,10 Atm,40 °C1.1 Reagents: Hydrogen Catalysts: Rhodium(1+),Bis[(2,3,5,6-η)-Bicyclo[2.2.1]Hepta-2,5-Diene]-,Tetrafluoroborate(...,(1S)-1,1′-Bis[n-[2,6-Bis(1-Methylethyl)Phenyl]-P,P-Diphenylphosphinimyl]-2-[(1S)... Solvents: Methanol; 24 H,1 Atm,40 °C1.1 Reagents: Hydrogen Catalysts: Rhodium(1+),Bis[(2,3,5,6-η)-Bicyclo[2.2.1]Hepta-2,5-Diene]-,Tetrafluoroborate(...,Ferrocene,1′-[n-[2,6-Bis(1-Methylethyl)Phenyl]-P,P-Diphenylphosphinimyl]-1-[(1S... Solvents: Methanol; 24 H,1 Atm,40 °C
  标题:Chiral (Iminophosphoranyl)Ferrocenes: A New Class Of Practical Ligands For Rhodium-Catalyzed Asymmetric Hydrogenationchiral (Iminophosphoranyl)Ferrocenes: A New Class Of Practical Ligands For Rhodium-Catalyzed Asymmetric Hydrogenationchiral (Iminophosphoranyl)Ferrocenes: A New Class Of Practical Ligands For Rhodium-Catalyzed Asymmetric Hydrogenation
  作者:Co,Thanh Thien; Et Al Co,Thanh Thien; Et Al Co,Thanh Thien; Et Al
  参考文献:Organometallics 日期:2005 卷标:24(20) 页码:4824-4831]
  
  5429-56-1 = 97-69-8
  反应条件:1.1 Catalysts: Rhodium(1+),Bis[(1,2,5,6-η)-1,5-Cyclooctadiene]-,1,1,1-Trifluoromethanesulfona...,1,1′-[(1S)-3,3′-Bis(2-Phenylethyl)[1,1′-Binaphthalene]-2,2′-Diyl]Bis[1,1-Dipheny... Solvents: Methanol; 30 Min,Rt1.2 Reagents: Hydrogen Solvents: Methanol; 24 H,2 Atm,Rt1.1 Reagents: Hydrogen Catalysts: Rhodium(1+),[(2,3,5,6-η)-Bicyclo[2.2.1]Hepta-2,5-Diene][(1R,3As,7As)-1-[bis(1,1... Solvents: Methanol; 12 H,50 Psi,Rt1.1 Reagents: Hydrogen Catalysts: Rhodium(1+),[(1,2,5,6-η)-1,5-Cyclooctadiene][(2S)-N,N-Bis[2-(Diphenylphosphino-... Solvents: Dimethyl Sulfoxide,Water; 15 H,5 Bar,Rt
  标题:3,3'-Substituted Binap Derivatives Containing C-Bound Substituents: Applications In Asymmetric Hydrogenation Reactionsdesign And Synthesis Of A Novel Three-Hindered Quadrant Bisphosphine Ligand And Its Application In Asymmetric Hydrogenationsecond-Generation Artificial Hydrogenases Based On The Biotin-Avidin Technology: Improving Selectivity And Organic Solvent Tolerance By Introduction Of An (R)-Proline Spacer
  作者:Rankic,Danica A.; Et Al Huang,Kexuan; Et Al Rusbandi,Untung E.; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2012 卷标:23(10) 页码:754-763]
  
  202862-01-9 = 97-69-8
  反应条件:1.1 Reagents: Piperidine Solvents: Acetonitrile; 30 Min,5 - 10 °C; 1 - 2 H,20 - 25 °C
  标题:Preparation And Purification Method Of Amino Acid And Derivative
  参考文献:China]
  
  5143-72-6 = 97-69-8
  反应条件:1.1 Reagents: Sodium Bicarbonate Catalysts: Triacylglycerol Lipase Solvents: Water,N-Ethylpyridinium Trifluoroacetate; 24 H,Ph 7.5,25 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3,25 °C
  标题:Enantioseparation Of The Esters Of α-N-Acetylamino Acids By Lipase In Ionic Liquidenantioselective Hydrolyses By Baker'S Yeast. Ii. Esters Of N-Acetyl Amino Acidsenantioselective Hydrolyses By Baker'S Yeast. Ii. Esters Of N-Acetyl Amino Acids
  作者:Malhotra,Sanjay V.; Et Al Glaenzer,B. I.; Et Al Glaenzer,B. I.; Et Al
  参考文献:Chirality 日期:2005 卷标:43(4) 页码:771-8]
  
  10065-72-2 = 97-69-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 2 H,Rt1.2 Reagents: Lithium Hydroxide Solvents: Methanol; 2 H,Rt
  标题:Benzimidazole And Imidazole Inhibitors Of Histone Deacetylases: Synthesis And Biological Activity
  作者:Bressi,Jerome C.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(10) 页码:3138-3141]
  
  1115-69-1 = 97-69-8
  反应条件:1.1 Catalysts: Pseudomonas
  标题:Growth Kinetics Of L-Aminoacylase-Producing Pseudomonas Sp. Ba2
  作者:Bodalo Santoyo,A.; Et Al
  参考文献:Chemical Engineering Science 日期:1996 卷标:52(2) 页码:171-176]
  
  127067-28-1 + 56-41-7 = 97-69-8
  反应条件:1.1 -1.2 Reagents: Chloroacetonitrile1.3 -
  标题:Ribosomal Peptide Syntheses From Activated Substrates Reveal Rate Limitation By An Unexpected Step At The Peptidyl Site
  作者:Wang,Jinfan; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2016 卷标:138(48) 页码:15587-15595]
  
  26629-33-4 = 97-69-8 [标题:Reaction Conditions
  标题:Reverse Micelles,An Alternative To Aqueous Medium For Microbial Reactions: Yeast Mediated Resolution Of α-Amino Acids In Reverse Micelles
  作者:Fadnavis,N. W.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1989 卷标:54(13) 页码:3218-21]
  
  56-41-7 = 97-69-8
  反应条件:1.1 Solvents: Acetic Acid1.2 Reagents: Water1.1 Solvents: Water1.1 Solvents: Water
  标题:Method For Preparing N-Acetylamino Acid From Amino Acid,Acetic Anhydride,And Acetic Acidacetylation Under Ultrasonic Conditions: Convenient Preparation Of N-Acetyl Amino Acidsacetylation Under Ultrasonic Conditions: Convenient Preparation Of N-Acetyl Amino Acids
  作者:Reddy,A. Veera; Et Al Reddy,A. Veera; Et Al
  参考文献:China 日期:1992 卷标:22(2) 页码:257-64]
  
  17831-01-5 = 97-69-8
  反应条件:1.1 Reagents: 1-Hydroxybenzotriazole,Diisopropylethylamine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane; 16 H,Rt1.2 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 16 H,Rt1.1 Reagents: 1-Hydroxybenzotriazole,Diisopropylethylamine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane; 16 H,Rt2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 16 H,Rt
  标题:Preparation Of Hexahydro(Di)Azepino[3,2,1-Hi]Indole-,Tetrahydro-7H-6-Oxa-9A-Azabenzo[cd]Azulene- And Tetrahydro-7H-6-Thia-9A-Azabenzo[cd]Azulene-Containing Peptides As Granzyme B Directed Imaging And Therapypreparation Of Hexahydro(Di)Azepino[3,2,1-Hi]Indole-,Tetrahydro-7H-6-Oxa-9A-Azabenzo[cd]Azulene- And Tetrahydro-7H-6-Thia-9A-Azabenzo[cd]Azulene-Containing Peptides As Granzyme B Directed Imaging And Therapy
  参考文献:World Intellectual Property Organization]
  
  56-41-7 = 97-69-8
  反应条件:1.1 Solvents: Water; 5 Min,80 °C
  标题:Aqueous Mw Eco-Friendly Protocol For Amino Group Protection
  作者:Nardi,M.; Et Al
  参考文献:Rsc Advances 日期:2015 卷标:5(24) 页码:18751-18760]
  
  56-41-7 = 97-69-8
  反应条件:1.1 Solvents: Dichloromethane
  标题:A Polymeric Active Ester Incorporating Tetrachlorohydroquinone Groups
  作者:Narang,C. K.; Et Al
  参考文献:Reactive Polymers 日期:1988 卷标:8(2) 页码:189-92]
  
  60-35-5 = 97-69-8
  反应条件:1.1 Reagents: Dicobalt Octacarbonyl Solvents: Ethyl Acetate
  标题:Synthesis Of N-Acyl Acids By A Carbonylation Reaction
  作者:Wakamatsu,H.; Et Al
  参考文献:Journal Of The Chemical Society [section] D: Chemical Communications 日期:1971 卷标:(23)]
  
  3619-02-1 = 97-69-8
  反应条件:1.1 Reagents: Acetic Acid Solvents: Water; Rt
  标题:Preparation Of Phosphine Aminophosphine Cocatalysts
  参考文献:United States]
  
  338-69-2 = 97-69-8
  反应条件:1.1 Reagents: Sodium Bicarbonate; 1 H,0 °C; 2 - 4 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Overnight,Ph 2 - 3,Cooled
  标题:Reaction Of Amino Acids,Di- And Tripeptides With The Environmental Oxidant No3.: A Laser Flash Photolysis And Computational Study
  作者:Wille,Uta; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2016 卷标:11(22) 页码:3188-3195]
  
  114285-13-1 = 97-69-8 [标题:Reaction Conditions
  标题:Enantioselective Hydrolyses By Baker'S Yeast. Ii. Esters Of N-Acetyl Amino Acids
  作者:Glaenzer,B. I.; Et Al
  参考文献:Tetrahedron 日期:1987 卷标:43(4) 页码:771-8]
  
  = 97-69-8
  反应条件:1.1 Catalysts: Triacylglycerol Lipase
  标题:Kinetic Resolutions Of Aliphatic Alcohols With A Fungal Lipase From Mucor Miehei
  作者:Sonnet,Philip E.
  参考文献:Journal Of Organic Chemistry 日期:1987 卷标:52(15) 页码:3477-9]
  
  56-41-7 + 14984-55-5 = 97-69-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Water; 12 H,Rt
  标题:Modulating The Reactivity Of Polymer With Pendant Ester Groups By Methylation Reaction For Preparing Functional Polymers
  作者:Lang,Xianhua; Et Al
  参考文献:Polymer Chemistry 日期:2022 卷标:13(41) 页码:5905-5911]
  
  19436-52-3 = 97-69-8
  反应条件:1.1 Reagents: Hydrogen,2-Acetamidoacrylic Acid Catalysts: Rhodium Trichloride,Benzenesulfonic Acid,3,3′,3′′,3′′′-[[(1S,3S)-1,3-Dimethyl-1,3-Propanediyl]Dipho... Solvents: Water
  标题:Chiral Sulfonated Phosphines. Part Iii. Rhodium(I)-Tetrasulfonated Diphosphine Complex: Homogeneous Or Heterogeneous Catalyst?
  作者:Lecomte,Loic; Et Al
  参考文献:Journal Of Molecular Catalysis 日期:1989 卷标:52(2)]
  
  194661-06-8 = 97-69-8 [标题:Reaction Conditions
  标题:Enantioselective Hydrolyses By Baker'S Yeast. Ii. Esters Of N-Acetyl Amino Acids
  作者:Glaenzer,B. I.; Et Al
  参考文献:Tetrahedron 日期:1987 卷标:43(4) 页码:771-8

海关参考信息

• 2905121000-正丙醇
  2912110000-甲醛
  2912120000-乙醛
  2915110000-甲酸
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