CAS: 90315-82-5; Ethyl (R)-2-Hydroxy-4-Phenylbutyrate

• 英文名称Ethyl (R)-2-Hydroxy-4-Phenylbutyrate
• 中文名称(R)-2-羟基-4-苯基丁酸乙酯
• IUPAC名称ethyl (R)-2-hydroxy-4-phenylbutanoate
• 其它别名(R)-2-羧基-4-苯基丁酸乙酯; R-2-Hydroxy-4-Phenyl Butyric Acid Ethyl Ester
• CAS编号90315-82-5
• MFCD编号:MFCD00077794
• EINECS号:618-525-4
• FDA UNII编号:QP7IWH2QOX
• 分子式:C12H16O3
• 分子量:208.25
• 产品CID: 1935560
• 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: ZJYKSSGYDPNKQS-LLVKDONJSA-N
• InChI=1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/t11-/m1/s1…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数5.0

物理性质

• 沸点330.9 °C at 760 mmHg
• 闪点110°C
• 密度1.075
• PH:-10 º (c=neat)
• pKa:13.00±0.20(预测)
• PSA:46.53
• LogP:1.5432
• 旋光度-10º(C=NEAT)
• 折射率1.503-1.505
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 敏感性按规定使用和贮存的不会分解，避氧化物
• 外观形态无色液体
• 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合成各种ACE抑制剂的关键中间体,如CILAZAPRIL,BENAZEPRIL和ENALAPRIL.

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-P330-P362+P364-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明23-24/25
• 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 Ethyl (R)-2-Hydroxy-4-Phenylbutyrate 主要起始原料 Ethanol And (R)-2-Hydroxy-4-Phenylbutyric Acid
• 29678-81-7 = 90315-82-5
  反应条件:1.1 Reagents: Chlorotrimethylsilane Solvents: Ethanol; 24 H,Rt
  标题:A New Chemo-Enzymatic Route To Chiral 2-Hydroxy-4-Phenylbutyrates By Combining Lactonase-Mediated Resolution With Hydrogenation Over Pd/c
  作者:Chen,Bing; Yin,Hai-Feng; Wang,Zhen-Sheng; Liu,Jia-Ying; Xu,Jian-He
  参考文献:Chemical Communications (Cambridge 日期:2010 卷标:46(16) 页码:2754-2756]
  
  146912-66-5 = 90315-82-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Acetic Acid; Rt1.2 Reagents: Sodium Bicarbonate; 4 H,60 °C
  标题:Synthesis Of Optical Active Compound Ethyl (R)-2-Hydroxy-4-Phenylbutyrate
  作者:Li,Li-Xin; Li,Jun; Xie,Ming-Gui
  参考文献:Sichuan Daxue Xuebao 日期:2003 卷标:35(4) 页码:106-108]
  
  64920-29-2 = 90315-82-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Dihydrocinchonidine,Alumina,Platinum Solvents: Toluene; 6 Mpa,25 °C
  标题:Enantioselective Synthesis Of Ethyl (R)-2-Hydroxy-4-Phenylbutanoate
  作者:Liu,Yu; Li,Xiang; Liu,Xiaocheng; He,Jiajun; Liu,Duan
  参考文献:Huaxue Yu Shengwu Gongcheng 日期:2009 卷标:26(7) 页码:37-39]
  
  29678-81-7 = 90315-82-5
  反应条件:1.1 Reagents: Sulfuric Acid
  标题:Angiotensin-Converting Enzyme Inhibitors. Perhydro-1,4-Thiazepin-5-One Derivatives
  作者:Yanagisawa,Hiroaki; Ishihara,Sadao; Ando,Akiko; Kanazaki,Takuro; Miyamoto,Shuichi; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1987 卷标:30(11) 页码:1984-91]
  
  244277-48-3 = 90315-82-5
  反应条件:1.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Solvents: Ethanol,Water; 2 H,25 °C
  标题:Chemo-Enzymatic Synthesis Of Ethyl (R)-2-Hydroxy-4-Phenylbutyrate
  作者:D'Arrigo,Paola; Pedrocchi-Fantoni,Giuseppe; Servi,Stefano
  参考文献:Tetrahedron: Asymmetry 日期:2010 卷标:21(8) 页码:914-918]
  
  64920-29-2 = 90315-82-5
  反应条件:1.1 Reagents: Formic Acid,Triethylamine Catalysts: Bis(Dichloro(η6-P-Cymene)Ruthenium),Tsdpen Solvents: Dichloromethane; 24 H,28 °C
  标题:Tunable Dendritic Ligands Of Chiral 1,2-Diamine And Their Application In Asymmetric Transfer Hydrogenation
  作者:Liu,Weiguo; Cui,Xin; Cun,Linfeng; Zhu,Jin; Deng,Jingen
  参考文献:Tetrahedron: Asymmetry 日期:2005 卷标:16(15) 页码:2525-2530]
  
  64920-29-2 = 90315-82-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Bis[chloro(Norbornadiene)Rhodium],1,1′-(1R,2S,3S,4S)-Bicyclo[2.2.1]Hept-5-Ene-2,3-Diylbis[1,1-Diphenylphosphine]
  标题:(+)-(2S,3S)-Bis(Diphenylphosphino)Bicyclo[2.2.1]Hept-5-Ene
  作者:Whiteker,Gregory T.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1 页码:1-2]
  
  64920-29-2 = 90315-82-5
  反应条件:1.1 Reagents: Glucose,Nadp Catalysts: Carbonyl Reductase (Nadph) Solvents: Water; 24 H,Ph 7.0,4 °C
  标题:Biochemical Characterisation Of A Nadph-Dependent Carbonyl Reductase From Neurospora Crassa Reducing α- And β-Keto Esters
  作者:Richter,Nina; Hummel,Werner
  参考文献:Enzyme And Microbial Technology 日期:2011 卷标:48(6-7) 页码:472-479]
  
  64920-29-2 = 90315-82-5
  反应条件:1.1 Reagents: Cinchonidine,Sodium Bromide Catalysts: Alumina,Platinum
  标题:Ultrasonics In Asymmetric Syntheses. Sonochemical Enantioselective Hydrogenation Of Prochiral C=o Groups Over Platinum Catalysts
  作者:Torok,Bela; Balazsik,Katalin; Szollosi,Gyorgy; Felfoldi,Karoly; Bartok,Mihaly
  参考文献:Chirality 日期:1999 卷标:11 页码:470-474]
  
  244277-48-3 = 90315-82-5
  反应条件:1.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Solvents: Ethanol; 6 H,Rt
  标题:Enantio- And Regiospecific Reduction Of Ethyl 4-Phenyl-2,4-Dioxobutyrate With Baker'S Yeast: Preparation Of (R)-Hpb Ester
  作者:Fadnavis,Nitin W.; Radhika,Kasiraman R.
  参考文献:Tetrahedron: Asymmetry 日期:2004 卷标:15(21) 页码:3443-3447]
  
  244277-48-3 = 90315-82-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium,Hydrochloric Acid Solvents: Ethanol
  标题:New Technical Synthesis Of Ethyl (R)-2-Hydroxy-4-Phenylbutyrate Of High Enantiomeric Purity
  作者:Herold,P.; Indolese,A. F.; Studer,M.; Jalett,H. P.; Siegrist,U.; Et Al
  参考文献:Tetrahedron 日期:2000 卷标:56(35) 页码:6497-6499]
  
  64920-29-2 = 90315-82-5
  反应条件:1.1 Reagents: 2-Chloroacetophenone Solvents: Diethyl Ether,Water
  标题:Stereochemical Control In Microbial Reduction. Part 31: Reduction Of Alkyl 2-Oxo-4-Arylbutyrates By Baker'S Yeast Under Selected Reaction Conditions
  作者:Dao,Duc Hai; Okamura,Mutsuo; Akasaka,Takeshi; Kawai,Yasushi; Hida,Kouichi; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:1998 卷标:9(15) 页码:2725-2737]
  
  126-84-1 + 110143-66-3 = 90315-82-5
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Ethanol1.2 Reagents: Hydrochloric Acid Solvents: Ethanol
  标题:An Efficient Synthesis Of Ethyl(R)-2-Hydroxy-4-Phenylbutyrate: A Useful Intermediate In The Synthesis Of Converting Enzyme Inhibitors
  作者:Flynn,Gary A.; Beight,Douglas W.
  参考文献:Tetrahedron Letters 日期:1988 卷标:29(4) 页码:423-6]
  
  29678-81-7 = 90315-82-5
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Ethanol
  标题:The Design And Synthesis Of The Angiotensin-Converting Enzyme Inhibitor Cilazapril And Related Bicyclic Compounds
  作者:Attwood,Michael R.; Hassall,Cedric H.; Krohn,Antonin; Lawton,Geoffrey; Redshaw,Sally
  参考文献:Journal Of The Chemical Society 日期:1986 卷标:(6) 页码:1011-19]
  
  64920-29-2 = 90315-82-5
  反应条件:1.1 Catalysts: Bis[dichloro[η5-(Pentamethylcyclopentadienyl)]Rhodium],Benzenaminium,3,3′-[(1R,2R)-1-Amino-2-[[(4-Dodecylphenyl)Sulfonyl]Amino]-1,2-Et... Solvents: Water; 2 H,40 °C1.2 Reagents: Formic Acid,Sodium Formate; 6 H,25 °C
  标题:Chiral Surfactant-Type Catalyst: Enantioselective Reduction Of Long-Chain Aliphatic Ketoesters In Water
  作者:Lin,Zechao; Li,Jiahong; Huang,Qingfei; Huang,Qiuya; Wang,Qiwei; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2015 卷标:80(9) 页码:4419-4429

海关参考信息

• 2902600000-乙苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 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。
• 详情请参考：📖 海关编码查询和海关进出口税则

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• ➥ 象形图和危险代码
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