CAS: 96-81-1; Ac-Val-Oh

• 英文名称Ac-Val-Oh
• 中文名称N-乙酰-L-缬氨酸
• IUPAC名称acetyl-L-valine
• 其它别名(S)-2-Acetylamino-3-Methylbutyric Acid; N-Acetyl Valine; N-Acetylvaline; N-Acetyl-Valine; L-Valine, N-Acetyl-; N-Alpha-Actetyl-L-Valine (Ac-L-Val-Oh); Unii-U83P7H9Hv3; Ac-Val; Akos00
• CAS编号96-81-1
• MFCD编号:MFCD00066066
• EINECS号:202-537-8
• 分子式:C7H13NO3
• 分子量:159.18
• 产品CID: 2018922
• 产品分类有机原料→生命科学→氨基酸及其衍生物→N-保护氨基酸

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: IHYJTAOFMMMOPX-LURJTMIESA-N
• InChI=1/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)…
• 计算化学: 氢键受体数2.0氢键供体数2可旋转键数3

相似化合物

物理性质

• 熔点170.5 °C
• 沸点362.2±25.0 °C at 760 mmHg
• 闪点172.8±23.2 °C
• 密度1.1±0.1 g/cm3
• PH:[α]D20 -16～-20゜ (c=5, C2H5OH)
• pKa:3.62±0.10(预测)
• PSA:66.4
• LogP:0.2317
• 折射率1.457
• 蒸汽压0.0±1.7 mmHg at 25°C
• 溶解性Soluble In Methanol
• 外观形态白色结晶粉末
• 储存条件密封干燥,冷冻保存, 低于 -20°C
• 产品应用该化合物用于对代谢(选择性)-四氯硝基苯-烷基反应的一种约束剂.

MSDS等安全信息

• GHS符号GHS07
• 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2A
• 警示词Warning
• 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26-36/37
• 危险类别码36-43
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 72-18-4 + 135544-68-2 = 96-81-1
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Acetone,Water; 12 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Rt
  标题:Pyrrolobenzodiazepine Antibody Conjugates
  参考文献:World Intellectual Property Organization]
  
  72-18-4 = 96-81-1
  反应条件:1.1 Solvents: Acetic Acid; Rt -> 70 °C; 1 H,70 °C; 5 H,70 °C; 1 H,70 °C; 0.08 Mpa,60 °C1.2 Reagents: Water; 12 H,Cooled
  标题:Method For Preparing N-Acetylamino Acid From Amino Acid,Acetic Anhydride,And Acetic Acid
  参考文献:China]
  
  72-18-4 = 96-81-1
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Acetic Anhydride; 24 H,Rt
  标题:Synthesis Of Planar Chiral Phosphapalladacycles By N-Acyl Amino Acid Mediated Enantioselective Palladation
  作者:Gunay,M. Emin; Richards,Christopher J.
  参考文献:Organometallics 日期:2009 卷标:28(19) 页码:5833-5836]
  
  72-18-4 = 96-81-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water
  标题:Stereoselective Synthesis Of Cyclobutanols By Yang Photocyclization. Influence Of Hydrogen Bridges On The Efficiency And Selectivity
  作者:Cygon,Peter
  参考文献:2004]
  
  72-18-4 = 96-81-1
  反应条件:1.1 Solvents: Methanol; 6 H,70 °C
  标题:Combinatorial Ligand Design For Transition Metal Catalysts Featuring One Coordinating And One Non-Coordinating Building Block Wherein Building Blocks Contain Complementary Functionalities To Promote Non-Covalent Bonding
  参考文献:European Patent Organization]
  
  72-18-4 = 96-81-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 0 °C; Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3,Rt
  标题:Bio- And Medicinally Compatible α-Amino Acid Modification Via Merging Photo-Redox And N-Heterocyclic Carbene Catalysis
  作者:Feng,Jie; Zhang,Kuili; Ma,Rui; Gao,Jian; Lu,Tao; Et Al
  参考文献:Chemrxiv 日期:2020 页码:1-7]
  
  156525-70-1 = 96-81-1
  反应条件:1.1 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 Therapy
  参考文献:World Intellectual Property Organization]
  
  60-35-5 = 96-81-1 [标题:Reaction Conditions
  标题:Preparation Of N-Acylamino Acids From Aldehydes,Carboxamides,And Carbon Monoxide
  参考文献:Federal Republic Of Germany]
  
  = 96-81-1 [标题:Reaction Conditions
  标题:Method For Resolving Enantiomers From Racemic Mixture Having Chiral Carbon In Alpha Position Of Nitrogen
  参考文献:World Intellectual Property Organization]
  
  72-18-4 = 96-81-1
  反应条件:1.1 Solvents: Water
  标题:Insight Into β-Hairpin Stability: A Structural And Thermodynamic Study Of Diastereomeric β-Hairpin Mimetics
  作者:Erdelyi,Mate; Langer,Vratislav; Karlen,Anders; Gogoll,Adolf
  参考文献:New Journal Of Chemistry 日期:2002 卷标:26(7) 页码:834-843]
  
  60-35-5 = 96-81-1
  反应条件:1.1 Catalysts: Triphenylphosphine,Lithium Bromide,Sulfuric Acid,Di-μ-Chlorobis[(1,2,5,6-η)-1,5-Cyclooctadiene]Diiridium Solvents: N-Methyl-2-Pyrrolidone1.2 -
  标题:Amidocarbonylation Procedure And Catalysts For The Production Of N-Acylamino Acids From The Reaction Of Carbon Monoxide With Aldehydes And Amides Or Nitriles
  参考文献:Germany]
  
  72-18-4 = 96-81-1
  反应条件:1.1 1 H,150 °C
  标题:N-Acylation Of Amino Acids And Amines
  参考文献:World Intellectual Property Organization]
  
  72-18-4 = 96-81-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 15 Min,Rt; 1 H,Rt
  标题:A Facile Synthesis And Ir-Ld Spectral Elucidation Of N-Acetyl Amino Acid Derivatives
  作者:Chapkanov,A. G.; Dzimbova,T. A.; Ivanova,B. B.
  参考文献:Bulgarian Chemical Communications 日期:2012 卷标:44(3) 页码:228-232]
  
  72-18-4 = 96-81-1
  反应条件:1.1 Solvents: Methanol; 6 H,70 °C
  标题:"Cofactor"-Controlled Enantioselective Catalysis
  作者:Dydio,Pawel; Rubay,Christophe; Gadzikwa,Tendai; Lutz,Martin; Reek,Joost N. H.
  参考文献:Journal Of The American Chemical Society 日期:2011 卷标:133(43) 页码:17176-17179]
  
  72-18-4 = 96-81-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 0 °C; Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3,Rt
  标题:Bio- And Medicinally Compatible α-Amino-Acid Modification Via Merging Photoredox And N-Heterocyclic Carbene Catalysis
  作者:Du,Ding; Zhang,Kuili; Ma,Rui; Chen,Lei; Gao,Jian; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(16) 页码:6370-6375]
  
  72-18-4 = 96-81-1
  反应条件:1.1 Solvents: Water; 4 Min,Rt
  标题:Antibodies Conjugated With Antitumor Agent Through Novel Peptidomimetic Linkers For Cancer Prevention And Therapy
  参考文献:World Intellectual Property Organization]
  
  72-18-4 = 96-81-1 [标题:Reaction Conditions
  标题:Palladium-Catalyzed [3 + 2] Annulation Of Aromatic Amides With Maleimides Through Dual C-H Activation
  作者:Naskar,Gouranga; Jeganmohan,Masilamani
  参考文献:Organic Letters 日期:2023 卷标:25(13) 页码:2190-2195]
  
  72-18-4 = 96-81-1 [标题:Reaction Conditions
  标题:Ligand-Enabled [3+2] Annulation Of Aromatic Acids With Maleimides By C(Sp3)-H And C(Sp2)-H Bond Activation
  作者:Naskar,Gouranga; Jeganmohan,Masilamani
  参考文献:Chemistry - A European Journal 日期:2022 卷标:28(39)]
  
  72-18-4 = 96-81-1 [标题:Reaction Conditions
  标题:Separation And Indirect Detection Of Amino Acids As Acetylated Derivatives
  作者:Yuan,Dongxing; Pietrzyk,Donald J.
  参考文献:Journal Of Chromatography 日期:1991 卷标:557(1-2) 页码:315-24]
  
  = 96-81-1 [标题:Reaction Conditions
  标题:Resolution Of 3-Aminoalkylnitriles
  参考文献:World Intellectual Property Organization

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