CAS: 90719-32-7; (S)-4-Benzyloxazolidin-2-One

• 英文名称(S)-4-Benzyloxazolidin-2-One
• 中文名称(S)-4-苄基-2-噁唑烷酮
• IUPAC名称(4S)-4-benzyl-1,3-oxazolidin-2-one
• 其它别名S-4-苄基噁唑烷-2-酮; (-)-4-Benzyl-2-Oxazolidinone
• CAS编号90719-32-7
• MFCD编号:MFCD00064496
• EINECS号:618-632-6
• FDA UNII编号:EC46HZ6ALH
• 分子式:C10H11NO2
• 分子量:177.2
• 产品CID: 1940742
• 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: OJOFMLDBXPDXLQ-VIFPVBQESA-N
• InChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m0/s1…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点86-88°C
• 沸点398.8°C at 760 mmHg
• 闪点195.0±18.7 °C
• 密度1.2±0.1 g/cm3
• PH:-62 º (C=1, CHCl3)
• pKa:12.78±0.40(预测)
• PSA:38.33
• LogP:1.3375
• 旋光度-62º(C=1,CHCL3)
• 折射率1.552
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 敏感性吸潮
• 外观形态白色至极微黄色结晶粉末
• 储存条件惰性气氛,室温
• 产品应用该化合物用于手性辅助无测量性合成.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS08;
  注释: Exclamation mark & Health hazard
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性-重复接触 类别2
  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
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H373 |长期或反复接触可能损害器官.
  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P260-P264-P270-P501
• 危险品标志Xi
• 安全声明24/25-36-26-37/39
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 24424-99-5 + 3182-93-2 = 90719-32-7
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: 1,4-Dioxane,Water; Rt -> 0 °C1.2 3 H,Rt1.3 Reagents: Lithium Chloride,Sodium Borohydride Solvents: Ethanol; 0 °C; 18 H,Rt1.4 Reagents: Citric Acid Solvents: Water1.5 Reagents: Diethyl Ether1.6 Reagents: Sodium Hydride Solvents: Dimethylformamide; 0 °C -> Rt; 3 H,Rt1.7 Reagents: Hydrochloric Acid Solvents: Water1.8 Reagents: Diethyl Ether
  标题:Easy Access To Evans' Oxazolidinones. Stereoselective Synthesis And Antibacterial Activity Of A New 2-Oxazolidinone Derivative
  作者:Diaz,Gaspar; De Freitas,Michelle A. A.; Ricci-Silva,Maria E.; Diaz,Marisa A. N.
  参考文献:Molecules 日期:2014 卷标:19(6) 页码:7429-7439]
  
  19213-72-0 + 3182-95-4 = 90719-32-7
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Tetrahydrofuran; 15 H,80 °C
  标题:Ethyl Imidazole-1-Carboxylate (Eimc) As A Carbonylation Agent: Efficient Synthesis Of Oxazolidin-2-Ones From Amino Alcohols
  作者:Veeraswamy,S.; Reddy,K. Indrasena; Ragavan,R. Venkat; Yennam,Satyanarayana; Jayashree,A.
  参考文献:Chemistry Letters 日期:2013 卷标:42(2) 页码:109-111]
  
  717137-43-4 = 90719-32-7
  反应条件:1.1 Reagents: Lithium Hydroxide,Hydrogen Peroxide Solvents: Tetrahydrofuran,Water; 0 °C; 16 H,0 °C -> Rt1.2 Reagents: Sodium Sulfate Solvents: Water; 30 Min,Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water; Ph 9 - 10,Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2
  标题:Doubly Diastereoselective Conjugate Addition Of Enantiopure Lithium Amides To Enantiopure N-Enoyl Oxazolidin-2-Ones: A Mechanistic Probe
  作者:Davies,Stephen G.; Fletcher,Ai M.; Hermann,Gesine J.; Poce,Giovanna; Roberts,Paul M.; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2010 卷标:21(13-14) 页码:1635-1648]
  
  132836-68-1 = 90719-32-7
  反应条件:1.1 Catalysts: Ytterbium Triflate (Silica-Supported) Solvents: Dichloromethane
  标题:A Facile New Method For Selective Deprotection Of N-(Tert-Butoxycarbonyl)-Protected Carboxamides With Yb(Otf)3 Supported On Silica Gel
  作者:Kotsuki,Hiyoshizo; Ohishi,Takeshi; Araki,Tomohiro; Arimura,Koji
  参考文献:Tetrahedron Letters 日期:1998 卷标:39(27) 页码:4869-4870]
  
  3182-95-4 = 90719-32-7
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane
  标题:The Generation And Reactivity Of Functionalised Organozinc Carbenoids For Cyclopropane Synthesis
  作者:Jerome,Laure
  参考文献:2009]
  
  3182-95-4 = 90719-32-7
  反应条件:1.1 Catalysts: Stereoisomer Of Octabutyldi-μ-Chlorodichlorodi-μ3-Oxotetratin; 60 Min,80 °C
  标题:Interaction Of Substrate And Catalyst During The Formation Of Oxazolidinones From 2-Aminoalcohols And Diethyl Carbonate Using Recyclable 1,3-Dichlorodistannoxanes
  作者:Pulla,Sharon; Unnikrishnan,Vineed; Ramidi,Punnamchandar; Sullivan,Shane Z.; Ghosh,Anindya; Et Al
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2011 卷标:338(1-2) 页码:33-43]
  
  101711-78-8 = 90719-32-7
  反应条件:1.1 Catalysts: (T-4)-(4-Methoxyphenolato-Ko)[2-[(Methylamino-Kn)Methyl]Phenyl-Kc][2-[(Methylami...,Boron(1+),Rel-Bis[2-[[(R)-Methylamino-Kn]Methyl]Phenyl-Kc]-,(T-4)-,Salt With ... Solvents: Methanol; 1 H,25 °C1.2 Reagents: Hydrochloric Acid Solvents: Diethyl Ether
  标题:Importance Of Open Structure Of Nonmetal Based Catalyst In Hydrogen Bond Promoted Methanolysis Of Activated Amide: Structure Dynamics Between Monomer And Dimer Enabling Recombinant Covalent,Dative,And Hydrogen Bonds
  作者:Oishi,Shunsuke; Yoshimoto,Junichi; Saito,Susumu
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(25) 页码:8748-8749]
  
  101711-78-8 = 90719-32-7
  反应条件:1.1 Reagents: Sodium Methoxide,Boron(1+),Rel-Bis[2-[[(R)-Methylamino-Kn]Methyl]Phenyl-Kc]-,Chloride (1:1),(T... Solvents: Methanol; 15 Min,25 °C1.2 Solvents: Methanol; < 1 H,25 °C1.3 Reagents: Ammonium Chloride Solvents: Water; 25 °C
  标题:Double Molecular Recognition With Aminoorganoboron Complexes: Selective Alcoholysis Of β-Dicarbonyl Derivatives
  作者:Oishi,Shunsuke; Saito,Susumu
  参考文献:Angewandte Chemie 日期:2012 卷标:51(22) 页码:5395-5399]
  
  107-21-1 + 3182-95-4 = 90719-32-7
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Dichloromethane; 20 H,Reflux
  标题:Studies Towards Development Of Asymmetric Double-Mannich Reactions Of Chiral 2-Oxocyclohexanecarboxylate Derivatives With Bis(Aminol)Ethers
  作者:Sparrow,Kevin John; Carley,Sarah; Sohnel,Tilo; Barker,David; Brimble,Margaret A.
  参考文献:Tetrahedron 日期:2015 卷标:71(15) 页码:2210-2221]
  
  3182-95-4 = 90719-32-7
  反应条件:1.1 Reagents: Sodium Methoxide; 20 Min,135 °C
  标题:Microwave-Assisted Improved Synthesis Of Oxazolidin-2-Ones,Oxazolidine-2-Thiones And Thiazolidine-2-Thione Chiral Auxiliaries
  作者:Morales-Nava,Rosmarbel; Fernandez-Zertuche,Mario; Ordonez,Mario
  参考文献:Molecules 日期:2011 卷标:16 页码:8803-8814]
  
  3182-95-4 = 90719-32-7
  反应条件:1.1 Reagents: Sodium Acetate,Tetrabutylammonium Tetrafluoroborate Catalysts: Palladium Diacetate Solvents: Acetonitrile
  标题:Palladium-Catalyzed Electrochemical Carbonylation Of 2-Amino-1-Alkanols To Oxazolidin-2-Ones Under Very Mild Conditions
  作者:Chiarotto,I.; Feroci,M.
  参考文献:Tetrahedron Letters 日期:2001 卷标:42(20) 页码:3451-3453]
  
  161646-29-3 = 90719-32-7
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Toluene
  标题:A Simple And Efficient Procedure For The Preparation Of Chiral 2-Oxazolidinones From α-Amino Acids
  作者:Lewis,Norman; Mckillop,Alexander; Taylor,Richard J. K.; Watson,Robert J.
  参考文献:Synthetic Communications 日期:1995 卷标:25(4) 页码:561-8]
  
  = 90719-32-7
  反应条件:1.1 Reagents: Ceric Ammonium Nitrate Solvents: Acetonitrile,Water; 5 Min,0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:C- And N-Selective Grignard Addition Reactions Of α-Aldimino Esters In The Presence Or Absence Of Zinc(Ii) Chloride: Synthetic Applications To Optically Active Azacycles
  作者:Hatano,Manabu; Yamashita,Kenji; Ishihara,Kazuaki
  参考文献:Organic Letters 日期:2015 卷标:17(10) 页码:2412-2415]
  
  = 90719-32-7
  反应条件:1.1 Reagents: Pyrrolidine Solvents: Acetonitrile; 4.5 H,55 °C
  标题:Tosvinyl And Besvinyl As Protecting Groups Of Imides,Azinones,Nucleosides,Sultams,And Lactams. Catalytic Conjugate Additions To Tosylacetylene
  作者:Petit,Elena; Bosch,Lluis; Font,Joan; Mola,Laura; Costa,Anna M.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(18) 页码:8826-8834

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  2912110000-甲醛
  2915110000-甲酸
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