CAS: 88496-70-2; (R)-Methyl 4-Chloro-3-Hydroxybutanoate

• 英文名称(R)-Methyl 4-Chloro-3-Hydroxybutanoate
• 中文名称(3r)-4-氯-3-羟基丁酸甲酯
• IUPAC名称methyl (R)-4-chloro-3-hydroxybutanoate
• 其它别名R-4-氯-3-羟基丁酸甲酯; R-Methyl-4-Chloro-3-Hydroxy Butyrate
• CAS编号88496-70-2
• MFCD编号:MFCD00273367
• EINECS号:677-464-1
• 分子式:C5H9ClO3
• 分子量:152.58
• 产品CID: 1895738
• 产品分类有机原料→分子砌块→脂肪链类化合物

• 相似结构搜索
• InChIKey: WMRINGSAVOPXTE-SCSAIBSYSA-N
• InChI=1S/C5H9ClO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3H2,1H3/t4-/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3.0

相似化合物

物理性质

• 沸点248.6±20.0 °C at 760 mmHg
• 闪点104.176 °C
• 密度1.232g/cm3
• pKa:12.73±0.20(预测)
• PSA:46.53
• LogP:0.1492
• 折射率1.451
• 蒸汽压0.004 mmHg at 25 °C
• 外观形态无色液体
• 储存条件在惰性气体(氮气或氩气)下 2-8°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
• 防范说明P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501
• 危险等级8
• UN编号1760.0
• 危险品标志Xi
• 包装等级Ⅲ
• 安全声明26-36
• 危险类别码36/37/38

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-Chloro-3-Hydroxybutyric Acid Methyl Ester 主要起始原料 Butanoic Acid, 3,4-Dihydroxy-, Methyl Ester, (3R)-
• 32807-28-6 = 88496-70-2
  反应条件:1.1 Reagents: Nadp Catalysts: Iron Oxide (Fe3O4) (Supported On Helical Multi-Walled Carbon Nanotubes),Carbon,Aldo-Keto Reductase; 8 H,35 °C
  标题:Chemoenzymatic Catalysis Of Tert-Butyl 6-Cyano-(3R,5R)-Dihydroxyhexanoate By Aldo-Keto Reductase Coupled With Composite Fe3O4 Nanozyme Scaffold
  作者:Qiu,Shuai; Et Al
  参考文献:Chemical Engineering Science 日期:2022 卷标:261]
  
  = 88496-70-2
  反应条件:1.1 3 D,28 °C
  标题:Lentinus Strigellus: A New Versatile Stereoselective Biocatalyst For The Bioreduction Of Prochiral Ketones
  作者:Barros-Filho,Bartholomeu A.; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2009 卷标:20(9) 页码:1057-1061]
  
  10488-68-3 = 88496-70-2 + 7331-52-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 40 H,Ph 6.7,30 °C
  标题:Dual Production Of Highly Pure Methyl (R)-4-Chloro-3-Hydroxybutyrate And (S)-3-Hydroxy-γ-Butyrolactone With Enterobacter Sp.
  作者:Suzuki,Toshio; Et Al
  参考文献:Enzyme And Microbial Technology 日期:1998 卷标:24 页码:13-20]
  
  123-96-6 + 32807-28-6 = 88496-70-2 + 5978-70-1
  反应条件:1.1 Reagents: Nadh,Tris(Hydroxymethyl)Aminomethane Hydrochloride; Ph 7.5,Rt; 24 H,30 °C
  标题:Tandem Concurrent Processes: One-Pot Single-Catalyst Biohydrogen Transfer For The Simultaneous Preparation Of Enantiopure Secondary Alcohols
  作者:Bisogno,Fabricio R.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2009 卷标:74(4) 页码:1730-1732]
  
  32807-28-6 = 88496-70-2 + 150966-86-2
  反应条件:1.1 Catalysts: Alcohol Dehydrogenase Solvents: Isopropanol,Water; 4 H,Ph 7.5,30 °C1.2 Catalysts: Halohydrin Dehalogenase; 44 H,Ph 7.5,30 °C
  标题:Biocatalytic Cascade For The Synthesis Of Enantiopure β-Azidoalcohols And β-Hydroxynitriles
  作者:Schrittwieser,Joerg H.; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2009 卷标:(14) 页码:2293-2298]
  
  32807-28-6 = 88496-70-2
  反应条件:1.1 Catalysts: Nadp-Dependent Alc. Dehydrogenase Solvents: Water; 24 H,Ph 7.5,30 °C
  标题:Ketone-Alcohol Hydrogen-Transfer Equilibria: Is The Biooxidation Of Halohydrins Blocked?
  作者:Bisogno,Fabricio R.; Et Al
  参考文献:Chemistry - A European Journal 日期:2010 卷标:16(36) 页码:11012-11019]
  
  638-07-3 = 88496-70-2
  反应条件:1.1 Reagents: Hydrogen Catalysts: Ruthenium,[(1,2,5,6-η)-1,5-Cyclooctadiene]Bis[(1,2,3-η)-2-Methyl-2-Propenyl]-,3H-Dinaphtho[2,1-C:1′,2′-E]Phosphepin,4,4′-[(1R)-[1,1′-Binaphthalene]-2,2′-Diyl... Solvents: Methanol; 24 H,60 Bar,100 °C; 100 °C -> Rt
  标题:Synthesis And Catalytic Application Of Novel Binaphthyl-Derived Phosphorous Ligands
  作者:Junge,Kathrin; Et Al
  参考文献:Arkivoc (Gainesville 日期:2007 卷标:(5) 页码:50-66]
  
  32807-28-6 = 88496-70-2 [标题:Reaction Conditions
  标题:Preparative Microbiological Reduction Of β-Oxo Esters With Thermoanaerobium Brockii
  作者:Seebach,Dieter; Et Al
  参考文献:Angewandte Chemie 日期:1984 卷标:96(2) 页码:155-6]
  
  32807-28-6 = 88496-70-2
  反应条件:1.1 Solvents: Water; 3 D,Rt
  标题:Highly Enantioselective Bioreduction Of Prochiral Ketones By Stem And Germinated Plant Of Brassica Oleracea Variety Italica
  作者:Mohammadi,Mehdi; Et Al
  参考文献:Biocatalysis And Biotransformation 日期:2011 卷标:29(6) 页码:328-336]
  
  32807-28-6 = 88496-70-2 + 109462-42-2
  反应条件:1.1 Reagents: Isopropanol Catalysts: Alcohol Dehydrogenase Solvents: Water; 4 H,Ph 7.5,30 °C1.2 Reagents: Mto-Dowex Sbr-Lcng Catalysts: Halohydrin Dehalogenase; 20 H,30 °C
  标题:Shifting The Equilibrium Of A Biocatalytic Cascade Synthesis To Enantiopure Epoxides Using Anion Exchangers
  作者:Schrittwieser,Joerg H.; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2009 卷标:20(4) 页码:483-488]
  
  = 88496-70-2 + 7331-52-4
  反应条件:1.1 -2.1 Reagents: Calcium Carbonate Solvents: Water; 24 H,Ph 7.2,30 °C
  标题:Dual Production Of Highly Pure Methyl (R)-4-Chloro-3-Hydroxybutyrate And (S)-3-Hydroxy-γ-Butyrolactone With Enterobacter Sp.
  作者:Suzuki,Toshio; Et Al
  参考文献:Enzyme And Microbial Technology 日期:1998 卷标:24 页码:13-20]
  
  111-13-7 = 88496-70-2 + 5978-70-1
  反应条件:1.1 Reagents: Nadh,Tris(Hydroxymethyl)Aminomethane Hydrochloride; Ph 7.5,Rt; 24 H,30 °C2.1 Reagents: Nadh,Tris(Hydroxymethyl)Aminomethane Hydrochloride; Ph 7.5,Rt; 24 H,30 °C
  标题:Tandem Concurrent Processes: One-Pot Single-Catalyst Biohydrogen Transfer For The Simultaneous Preparation Of Enantiopure Secondary Alcohols
  作者:Bisogno,Fabricio R.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2009 卷标:74(4) 页码:1730-1732

海关参考信息

• 2905122000-异丙醇
  2905399001-1,3-丙二醇
  2905590020-2-氯乙醇
  2912110000-甲醛
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