CAS: 82795-51-5; H-D-Hophe-Oh

• 英文名称H-D-Hophe-Oh
• 中文名称D-高苯丙氨酸
• IUPAC名称(R)-2-amino-4-phenylbutanoic acid
• 其它别名D-苯基丁氨酸,R-苯基丁氨酸; D-Homophenylalanine
• CAS编号82795-51-5
• MFCD编号:MFCD00063091
• EINECS号:853-256-8
• FDA UNII编号:5847ZW3PEP
• 分子式:C10H13NO2
• 分子量:179.22
• 产品CID: 1818094
• 产品分类有机原料→生命科学→氨基酸及其衍生物→苯丙氨酸及其衍生物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: MXHKOHWUQAULOV-SECBINFHSA-N
• InChI=1/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/s3…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数4.0

相似化合物

物理性质

• 熔点300°C
• 沸点324.8°C at 760 mmHg
• 闪点150.2±25.9 °C
• 密度1.2±0.1 g/cm3
• PH:-45 º (c=1, 3N HCl 19 °C)
• pKa:2.32±0.10(预测)
• PSA:63.32
• LogP:1.0311
• 旋光度-45º(C=1,3NHCL19ºC)
• 折射率1.565
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Aqueous Acid (Sparingly), Aqueous Base (Slightly)
• 敏感性按规定使用和贮存的不会分解
• 外观形态白色至类白色固体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物用于浸泡物合成.

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22-24/25
• 危险类别码S24/25:Prevent skin and eye contact.
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 82732-07-8 = 82795-51-5
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 3 H,Rt1.2 Reagents: Sodium Carbonate Solvents: Water; Ph 9
  标题:In Vitro Synthesis Of New Cyclodepsipeptides Of The Pf1022-Type: Probing The α-D-Hydroxy Acid Tolerance Of Pf1022 Synthetase
  作者:Mueller,Jane; Et Al
  参考文献:Chembiochem 日期:2009 卷标:10(2) 页码:323-328]
  
  87-69-4 = 82795-51-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Acetic Acid; 3 D,0.4 Mpa,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,50 °C1.3 Reagents: Ammonium Hydroxide; Ph 4.8
  标题:Optical Resolution Of Ethyl 2-(Benzylamino)-4-Oxo-4-Phenylbutanoate With Tartaric Acid. A Practical Synthesis Of D-Homophenylalanine
  作者:Berkes,D.; Et Al
  参考文献:Chemical Papers 日期:2003 卷标:57(5) 页码:350-354]
  
  119838-20-9 = 82795-51-5
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane1.2 Reagents: Acetic Acid,Hydrochloric Acid,Dowex 50W Solvents: Water
  标题:Resolution And Use In α-Amino Acid Synthesis Of Imidazolidinone Glycine Derivatives
  作者:Fitzi,Robert; Et Al
  参考文献:Tetrahedron 日期:1988 卷标:44(17) 页码:5277-92]
  
  120379-81-9 = 82795-51-5
  反应条件:1.1 Catalysts: Pseudomonas
  标题:Microbial Manufacture Of D-Homophenylalanine From Benzylmethylhydantoin
  参考文献:Japan]
  
  60505-02-4 = 82795-51-5
  反应条件:1.1 -2.1 Reagents: Hydrochloric Acid
  标题:Studies On Angiotensin Converting Enzyme Inhibitors. Vi. Synthesis And Angiotensin Converting Enzyme Inhibitory Activities Of The Dicarboxylic Acid Derivative Of Imidapril And Its Diastereoisomers
  作者:Kubota,Hitoshi; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1992 卷标:40(6) 页码:1619-22]
  
  119838-44-7 = 82795-51-5
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran1.2 Solvents: Tetrahydrofuran2.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane2.2 Reagents: Acetic Acid,Hydrochloric Acid,Dowex 50W Solvents: Water
  标题:Resolution And Use In α-Amino Acid Synthesis Of Imidazolidinone Glycine Derivatives
  作者:Fitzi,Robert; Et Al
  参考文献:Tetrahedron 日期:1988 卷标:44(17) 页码:5277-92]
  
  623-49-4 = 82795-51-5
  反应条件:1.1 Catalysts: Diisopropylamine,1505522-09-7 Solvents: Toluene; 15 Min,-40 °C; 45 Min,-40 °C2.1 Reagents: Trifluoroacetic Acid,Hydrochloric Acid Solvents: Water; 18 H,Rt -> 80 °C; 80 °C -> Rt2.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 6 - 7,5 °C
  标题:Catalysis Of Enantioselective Strecker Reaction In The Synthesis Of D-Homophenylalanine Using Recyclable,Chiral,Macrocyclic Mniii-Salen Complexes
  作者:Saravanan,S.; Et Al
  参考文献:Chemcatchem 日期:2013 卷标:5(6) 页码:1374-1385]
  
  = 82795-51-5
  反应条件:1.1 Solvents: Ethanol; Rt1.2 Solvents: Diethyl Ether; 24 - 30 H,-15 °C2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Acetic Acid; 3 D,0.4 Mpa,Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,50 °C2.3 Reagents: Ammonium Hydroxide; Ph 4.8
  标题:Optical Resolution Of Ethyl 2-(Benzylamino)-4-Oxo-4-Phenylbutanoate With Tartaric Acid. A Practical Synthesis Of D-Homophenylalanine
  作者:Berkes,D.; Et Al
  参考文献:Chemical Papers 日期:2003 卷标:57(5) 页码:350-354]
  
  85808-34-0 = 82795-51-5
  反应条件:1.1 Reagents: Pyridoxal 5′-Phosphate Catalysts: 2-Aminohexano-6-Lactam Racemase,D-Amino Acid Amidase Solvents: Water; 12 H,Ph 8,40 °C
  标题:Enzymatic Synthesis Of Chiral Phenylalanine Derivatives By A Dynamic Kinetic Resolution Of Corresponding Amide And Nitrile Substrates With A Multi-Enzyme System
  作者:Yasukawa,Kazuyuki; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2012 卷标:354(17) 页码:3327-3332]
  
  63393-59-9 = 82795-51-5
  反应条件:1.1 Reagents: Hydrochloric Acid
  标题:Studies On Angiotensin Converting Enzyme Inhibitors. Vi. Synthesis And Angiotensin Converting Enzyme Inhibitory Activities Of The Dicarboxylic Acid Derivative Of Imidapril And Its Diastereoisomers
  作者:Kubota,Hitoshi; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1992 卷标:40(6) 页码:1619-22]
  
  63393-59-9 = 82795-51-5
  反应条件:1.1 Reagents: Hydrochloric Acid
  标题:Preparation Of Optically Active Homophenylalanine By Optical Resolution Via Diastereomeric Salts Of Racemic Acetylhomophenylalanine
  参考文献:Japan]
  
  = 82795-51-5
  反应条件:1.1 Reagents: Trifluoroacetic Acid,Hydrochloric Acid Solvents: Water; 18 H,Rt -> 80 °C; 80 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 6 - 7,5 °C
  标题:Catalysis Of Enantioselective Strecker Reaction In The Synthesis Of D-Homophenylalanine Using Recyclable,Chiral,Macrocyclic Mniii-Salen Complexes
  作者:Saravanan,S.; Et Al
  参考文献:Chemcatchem 日期:2013 卷标:5(6) 页码:1374-1385]
  
  = 82795-51-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethyl Acetate; 1 Atm,Rt
  标题:The First Highly Enantioselective Alkynylation Of Chloral: A Practical And Efficient Pathway To Chiral Trichloromethyl Propargyl Alcohols
  作者:Jiang,Biao; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2004 卷标:346(6) 页码:669-674]
  
  1012-05-1 = 82795-51-5
  反应条件:1.1 Reagents: Oxygen; 46 H,Rt
  标题:Enantioselective Scavenging Using Homogenate Of Rhodotorula Graminis: A Facile Preparation Of D-Amino Acid Derivatives In Enantiopure Form
  作者:Zhang,Zizhang
  参考文献:Tetrahedron Letters 日期:2008 卷标:49(45) 页码:6468-6470]
  
  124044-66-2 = 82795-51-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water
  标题:Lipase-Catalyzed Kinetic Resolution Of Ethyl D,L-2-Amino-4-Phenylbutyrate By Hydrolysis
  作者:Houng,Jer-Ying; Et Al
  参考文献:Biotechnology Techniques 日期:1996 卷标:10(5) 页码:353-358]
  
  124044-66-2 = 82795-51-5 [标题:Reaction Conditions
  标题:Enzymes In Organic Synthesis: Use Of Subtilisin And A Highly Stable Mutant Derived From Multiple Site-Specific Mutations
  作者:Wong,Chi Huey; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1990 卷标:112(3) 页码:945-53]
  
  141318-72-1 = 82795-51-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 2 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 3 H,Reflux
  标题:Ionic Liquids: Highly Effective Medium For Enantiopure Amino Acids Via Enzymatic Resolution
  作者:Malhotra,Sanjay V.; Et Al
  参考文献:Acs Symposium Series 日期:2005 卷标:902 页码:111-123]
  
  60505-02-4 = 82795-51-5
  反应条件:1.1 Catalysts: (+)-Phenylethylamine
  标题:Preparation Of Optically Active Homophenylalanine By Optical Resolution Via Diastereomeric Salts Of Racemic Acetylhomophenylalanine
  参考文献:Japan]
  
  710-11-2 = 82795-51-5
  反应条件:1.1 Reagents: Sodium Hydroxide,Ammonium Chloride Solvents: Water; Ph 7.0 - 7.5,30 °C
  标题:Rational Identification Of A High Catalytic Efficiency Leucine Dehydrogenase And Process Development For Efficient Synthesis Of L-Phenylglycine
  作者:Meng,Xiangqi; Et Al
  参考文献:Biotechnology Journal 日期:2023 卷标:18(5)]
  
  710-11-2 = 82795-51-5
  反应条件:1.1 Reagents: D-Glutamine,Ammonium Sulfate Catalysts: D-Amino Acid Aminotransferase Solvents: Water; 24 H,Ph 8,Rt
  标题:Enantioselective Synthesis Of D- And L-α-Amino Acids By Enzymatic Transamination Using Glutamine As Smart Amine Donor
  作者:Heuson,Egon; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2019 卷标:361(4) 页码:778-785]
  
  = 82795-51-5
  反应条件:1.1 Reagents: Sodium Bicarbonate Catalysts: Subtilisin Solvents: Water,N-Ethylpyridinium Trifluoroacetate; 24 H,Ph 8,25 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3,Rt; Rt -> Reflux; 3 H,Reflux2.1 Reagents: Sodium Hydroxide Solvents: Water; 2 H,Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; 3 H,Reflux
  标题:Ionic Liquids: Highly Effective Medium For Enantiopure Amino Acids Via Enzymatic Resolution
  作者:Malhotra,Sanjay V.; Et Al
  参考文献:Acs Symposium Series 日期:2005 卷标:902 页码:111-123

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• 2902600000-乙苯
  2905121000-正丙醇
  2905130000-正丁醇
  2912110000-甲醛
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