CAS: 90319-52-1; (R)-4-Phenyloxazolidin-2-One

• 英文名称(R)-4-Phenyloxazolidin-2-One
• 中文名称(R)-4-苯基-2-噁唑烷酮
• IUPAC名称(R)-4-phenyloxazolidin-2-one
• 其它别名R-4-苯基-2-恶唑烷酮; 2-Oxazolidinone, 4-Phenyl-, (R)-
• CAS编号90319-52-1
• MFCD编号:MFCD00192393
• EINECS号:618-527-5
• FDA UNII编号:D5L96WN6JQ
• 分子式:C9H9NO2
• 分子量:163.17
• 产品CID: 1935598
• 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: QDMNNMIOWVJVLY-QMMMGPOBSA-N
• InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/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1.0

物理性质

• 熔点131-133°C
• 沸点407°C at 760 mmHg
• 闪点200.0±23.2 °C
• 密度1.2±0.1 g/cm3
• PH:-49.5 º (c=2, CHCl3)
• pKa:12.05±0.40(预测)
• PSA:38.33
• LogP:1.4675
• 旋光度-49.5º(C=2,CHCL3)
• 折射率1.548
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
• 敏感性按规定使用和贮存的不会分解，避氧化物
• 外观形态白色至类白色固体
• 储存条件惰性气氛,室温
• 产品应用医药中间体,主要用于不对称手性合成.
• 性质描述该品为白色或类白色粉末.熔点129-132°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
• 警示词Warning(警告)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志F+,Xi
• 安全声明22-24/25-33-26-16-7/9
• 危险类别码12-36
• 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-Phenyl-2-Oxazolidinone 主要起始原料 D-2-Phenylglycine And Diethyl Carbonate
• 56613-80-0 = 90319-52-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Potassium Iodide,Palladium Diiodide Solvents: Methanol
  标题:Synthesis Of 2-Oxazolidinones By Direct Palladium-Catalyzed Oxidative Carbonylation Of 2-Amino-1-Alkanols
  作者:Gabriele,Bartolo; Salerno,Giuseppe; Brindisi,Donatella; Costa,Mirco; Chiusoli,Gian Paolo
  参考文献:Organic Letters 日期:2000 卷标:2(5) 页码:625-627]
  
  56613-80-0 = 90319-52-1
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol
  标题:Development Of New Methodologies For The 1,3-Dipolar Cycloaddition Of Nitrones
  作者:Nguyen,Thanh Binh
  参考文献:2008]
  
  214492-02-1 = 90319-52-1
  反应条件:1.1 Reagents: Lithium Hydroxide,Hydrogen Peroxide Solvents: Tetrahydrofuran,Water; 12 H,Rt1.2 Reagents: Water; Rt
  标题:Resolution Of Pentafluorophenyl 2-Phenylpropanoate Using Combinations Of Quasi-Enantiomeric Oxazolidin-2-Ones
  作者:Shaye,Najla Al; Benoit,David M.; Chavda,Sameer; Coulbeck,Elliot; Dingjan,Marco; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2011 卷标:22(4) 页码:413-438]
  
  161533-41-1 = 90319-52-1
  反应条件:1.1 Catalysts: Hydrotalcite (Mg6(Co3)[al(Oh)6]2(Oh)4.4H2O) Solvents: Toluene; 5 H,110 °C
  标题:Modified Mg:Al Hydrotalcite In The Synthesis Of Oxazolidin-2-Ones
  作者:Cwik,Agnieszka; Fuchs,Aliz; Hell,Zoltan; Boejtoes,Ildiko; Halmai,Dora; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2005 卷标:3(6) 页码:967-969]
  
  56613-80-0 = 90319-52-1
  反应条件:1.1 Reagents: Selenium Solvents: Acetonitrile; 15 Min,30 °C1.2 Reagents: Oxygen; 9 H,30 °C
  标题:A Novel Way To Chiral 2-Oxazolidinones: Selenium-Catalyzed Cyclocarbonylation Of 2-Aminoethanols
  作者:Li,Peng; Yuan,Xiaohua; Wang,Shudong; Lu,Shiwei
  参考文献:Tetrahedron 日期:2007 卷标:63(50) 页码:12419-12423]
  
  34375-80-9 = 90319-52-1
  反应条件:1.1 Catalysts: Nickel Acetate,(S,S)-1,2-Bis(2,5-Dimethylphospholano)Benzene Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; Overnight,Rt1.2 Reagents: Hydrogen Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 24 H,70 Atm,80 °C
  标题:Efficient Access To Chiral 2-Oxazolidinones Via Ni-Catalyzed Asymmetric Hydrogenation: Scope Study,Mechanistic Explanation,And Origin Of Enantioselectivity
  作者:Liu,Yuanhua; Yi,Zhiyuan; Yang,Xuanliang; Wang,Heng; Yin,Congcong; Et Al
  参考文献:Acs Catalysis 日期:2020 卷标:10(19) 页码:11153-11161]
  
  34375-80-9 = 90319-52-1
  反应条件:1.1 Catalysts: Rhodium(1+),[(1R,1′r,2R,2′r)-1,1′-Bis(1,1-Dimethylethyl)-2,2′-Biphospholane-Kp1... Solvents: Dichloromethane; 30 Min,Rt1.2 Reagents: Hydrogen Solvents: Dichloromethane; 16 H,30 Atm,Rt
  标题:New Synthetic Strategy For Chiral 2-Oxazolidinones Derivatives Via Rhodium-Catalyzed Asymmetric Hydrogenation
  作者:Wang,Qingli; Tan,Xuefeng; Zhu,Ziyue; Dong,Xiu-Qin; Zhang,Xumu
  参考文献:Tetrahedron Letters 日期:2016 卷标:57(6) 页码:658-662]
  
  56613-80-0 = 90319-52-1
  反应条件:1.1 Reagents: Potassium Iodide,Oxygen Catalysts: Palladium Diiodide Solvents: 1,2-Dimethoxyethane; 15 H,20 Atm,100 °C
  标题:An Improved Procedure For The Palladium-Catalyzed Oxidative Carbonylation Of β-Amino Alcohols To Oxazolidin-2-Ones
  作者:Gabriele,Bartolo; Mancuso,Raffaella; Salerno,Giuseppe; Costa,Mirco
  参考文献:Journal Of Organic Chemistry 日期:2003 卷标:68(2) 页码:601-604]
  
  56613-80-0 = 90319-52-1
  反应条件:1.1 Reagents: Triethylamine,Chlorodiphenylphosphine Solvents: Acetonitrile; 15 - 20 Min,-40 °C; -40 °C -> Rt; Overnight,Rt
  标题:Carbon Dioxide As A Carbonylating Agent In The Synthesis Of 2-Oxazolidinones,2-Oxazinones,And Cyclic Ureas: Scope And Limitations
  作者:Paz,Jairo; Perez-Balado,Carlos; Iglesias,Beatriz; Munoz,Luis
  参考文献:Journal Of Organic Chemistry 日期:2010 卷标:75(9) 页码:3037-3046]
  
  56613-80-0 = 90319-52-1
  反应条件:1.1 Reagents: Tetraethylammonium Perchlorate Catalysts: 2-Pyrrolidone Solvents: Acetonitrile1.2 -1.3 Reagents: Tosyl Chloride
  标题:The Reaction Of 1,2-Amino Alcohols With Carbon Dioxide In The Presence Of 2-Pyrrolidone Electrogenerated Base. New Synthesis Of Chiral Oxazolidin-2-Ones
  作者:Casadei,M. Antonietta; Feroci,Marta; Inesi,Achille; Rossi,Leucio; Sotgiu,Giovanni
  参考文献:Journal Of Organic Chemistry 日期:2000 卷标:65(15) 页码:4759-4761]
  
  171877-37-5 = 90319-52-1
  反应条件:1.1 Reagents: (+/-)-Propylene Oxide Solvents: Chloroform; 60 Min,150 °C; 2 Min,150 °C -> 50 °C
  标题:Desulfurization-Oxygenation Of Chiral 1,3-Thiazolidine-2-Thiones And 1,3-Oxazolidine-2-Thiones Using Propylene Oxide And Microwave Irradiation
  作者:Minor-Villar,Leticia; Tello-Aburto,Rodolfo; Olivo,Horacio F.; Fuentes,Aydee; Romero-Ortega,Moises
  参考文献:Synlett 日期:2012 卷标:23(19) 页码:2835-2839]
  
  214492-02-1 = 90319-52-1
  反应条件:1.1 Reagents: Lithium Hydroxide,Hydrogen Peroxide Solvents: Tetrahydrofuran,Water; Rt; 12 H,Rt1.2 Reagents: Water; Rt
  标题:Efficient Parallel Resolution Of Pentafluorophenyl Active Esters Using Quasi-Enantiomeric Combinations Of Oxazolidin-2-Ones
  作者:Shaye,Najla Al; Chavda,Sameer; Coulbeck,Elliot; Eames,Jason; Yohannes,Yonas
  参考文献:Tetrahedron: Asymmetry 日期:2011 卷标:22(4) 页码:439-463]
  
  56613-80-0 = 90319-52-1 [标题:Reaction Conditions
  标题:Stereochemical Synthesis Of Ring E Analogs Of Methyllycaconitine And 4,5-Disubstituted Oxazolidinones
  作者:Orac,Crina M.
  参考文献:2009 卷标:71(2)]
  
  161533-41-1 = 90319-52-1
  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]
  
  56613-80-0 = 90319-52-1
  反应条件:1.1 Reagents: Carbon Tetrachloride,Triethylamine,Triphenylphosphine Solvents: Acetonitrile
  标题:Formation Of Cyclic Urethanes From Amino Alcohols And Carbon Dioxide Using Phosphorus(Iii) Reagents And Haloalkanes
  作者:Kubota,Tasuhiko; Kodaka,Masato; Tomohiro,Takenori; Okuno,Hiroaki
  参考文献:Journal Of The Chemical Society 日期:1993 卷标:(1) 页码:5-6]
  
  120666-53-7 = 90319-52-1
  反应条件:1.1 Reagents: Potassium Carbonate
  标题:New Synthesis Of Evans Chiral Oxazolidinones By Using The Sharpless Aa Reaction
  作者:Li,Guigen; Lenington,Robert; Willis,Steven; Kim,Sun Hee
  参考文献:Journal Of The Chemical Society 日期:1998 卷标:(11) 页码:1753-1754]
  
  19213-72-0 + 56613-80-0 = 90319-52-1
  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

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