CAS: 93939-74-3; (R)-2-Amino-2-(4-Fluorophenyl)Acetic Acid

• 英文名称(R)-2-Amino-2-(4-Fluorophenyl)Acetic Acid
• 中文名称D-对氟苯甘氨酸
• IUPAC名称(R)-2-amino-2-(4-fluorophenyl)acetic acid
• 其它别名(2R)-2-Azaniumyl-2-(4-Fluorophenyl)Acetate; P-Fluorophenylglycine; D-(4-Fluorophenyl) Glycine; Jkfykcyqewqptm-Ssdottswsa-N; (R)-4-Fluorophenylglycine; 4-Fluoro-D-Alpha-Phenylglycine, >=99.0% (Nt); A
• CAS编号93939-74-3
• MFCD编号:MFCD00042727
• EINECS号:300-363-8
• 分子式:C8H8FNO2
• 分子量:169.15
• 产品CID: 1982844
• 产品分类有机原料→生命科学→氨基酸及其衍生物→甘氨酸及其衍生物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: JKFYKCYQEWQPTM-SSDOTTSWSA-N
• InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m1/s1…
• 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300°C
• 沸点289.9°C at 760 mmHg
• 闪点129.1±24.6 °C
• 密度1.3±0.1 g/cm3
• pKa:1.90±0.10(预测)
• PSA:63.32
• LogP:0.9101
• 折射率1.565
• 蒸汽压0.0±0.6 mmHg at 25°C
• 敏感性遵照规定使用和储存则不会分解。
• 外观形态白色至几乎白色粉末至晶体
• 储存条件请置于阴暗处, 惰性气氛中,室温

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-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
• 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

• 合成目标产物 (R)-4-Fluorophenylglycine 主要起始原料 4-Fluorobenzaldehyde
• 459-57-4 = 93939-74-3
  反应条件:1.1 Reagents: Ammonium Chloride1.2 -
  标题:Screening,Design And Use For Chiral Synthesis Of Stereoselective Nitrilases From Uncultured Environmental Samples
  参考文献:United States]
  
  = 93939-74-3 [标题:Reaction Conditions
  标题:Morpholine And Thiomorpholine Tachykinin Receptor Antagonists
  参考文献:United States]
  
  = 93939-74-3 [标题:Reaction Conditions
  标题:Homochiral Organoelement Analogs Of Natural Compounds. I. Biocatalytic Methods For Production Of Fluorine-Containing L- And D-Phenylglycine On Preparative Scale
  作者:Soloshonok,V. A.; Galaev,I. Yu.; Svedas,V. K.; Kozlova,E. V.; Kotif,N. V.; Et Al
  参考文献:Bioorganicheskaya Khimiya 日期:1993 卷标:19(4) 页码:467-73]
  
  189138-28-1 = 93939-74-3
  反应条件:1.1 Reagents: Pyridoxal 5′-Phosphate Catalysts: 2-Aminohexano-6-Lactam Racemase,D-Amino Acid Amidase Solvents: Water; 24 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; Asano,Yasuhisa
  参考文献:Advanced Synthesis & Catalysis 日期:2012 卷标:354(17) 页码:3327-3332]
  
  459-57-4 = 93939-74-3
  反应条件:1.1 Reagents: Ammonium Acetate Solvents: Water; 30 Min,Ph 8,20 °C1.2 Catalysts: Nitrilase
  标题:Chemoenzymatic Method For Enantioselective Synthesis Of (R)-2-Phenylglycine And (R)-2-Phenylglycine Amide From Benzaldehyde And Kcn Using Difference Of Enzyme Affinity To The Enantiomers
  作者:Kawahara,Nobuhiro; Asano,Yasuhisa
  参考文献:Chemcatchem 日期:2018 卷标:10(21) 页码:5014-5020]
  
  56464-70-1 = 93939-74-3
  反应条件:1.1 Catalysts: Nitrilase Solvents: Methanol,Water; Ph 8,37 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Environmental Microbe Nitrilase And Gene Sequences Exhibiting Stereoselectivity Useful For Synthesis Of Chiral Reaction Products
  参考文献:United States]
  
  7292-73-1 = 93939-74-3
  反应条件:1.1 Reagents: Phenylacetyl Chloride,Sodium Hydroxide Solvents: Water; Ph 8 - 10,10 °C; 2 H,10 °C; 6 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 21.3 Reagents: Sodium Hydroxide,Penicillin Amidase Solvents: Water; 6 H,30 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2; 5 H,120 °C1.5 Reagents: Ammonia Solvents: Water; Overnight,Ph 5.74,4 °C
  标题:Method For Preparing D-Amino Acid With Immobilized Penicillin Acylase As Catalyst
  参考文献:China]
  
  56464-70-1 = 93939-74-3 + 19883-57-9 [标题:Reaction Conditions
  标题:Bacterial Nitrilase And Gene Sequences Exhibiting Stereoselectivity Useful For Synthesis Of Chiral Reaction Products
  参考文献:World Intellectual Property Organization]
  
  56464-70-1 = 93939-74-3
  反应条件:1.1 Catalysts: Nitrilase Solvents: Methanol,Water; 3 H,Ph 8,37 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Stereoselective Nitrilases From Uncultured Environmental Samples For Chiral Synthesis And Genes Encoding Them
  参考文献:United States]
  
  = 93939-74-3 [标题:Reaction Conditions
  标题:Beta-Thiopropionyl-Amino Acid Derivatives And Their Use As Beta-Lactamase Inhibitors
  参考文献:World Intellectual Property Organization

海关参考信息

• 2902600000-乙苯
  2912110000-甲醛
  2912120000-乙醛
  2915110000-甲酸
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
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