Introduction：Basic information about (S)-(+)-4-Phenyl-2-oxazolidinone CAS 99395-88-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
(S)-(+)-4-Phenyl-2-oxazolidinone Basic information
| Product Name: | (S)-(+)-4-Phenyl-2-oxazolidinone |
| Synonyms: | (4S)-4-PHENYL-1,3-OXAZOLIDIN-2-ONE;4-S-PHENYL-OXAZOLIDIN-2-ONE;(4S)-PHENYL-2-OXAZOLIDINONE;L-(+)-4-(4S)-PHENYLOXAZOLIDINONE;(S)-PH-OXAZOLIDINONE;SPOX;S-POA;(S)-(+)-4-PHENYLOXAZOLIDIN-2-ONE |
| CAS: | 99395-88-7 |
| MF: | C9H9NO2 |
| MW: | 163.17 |
| EINECS: | 619-429-5 |
| Product Categories: | Asymmetric Synthesis;Chiral Auxiliaries;Oxazolidinone Derivatives;Glycidyl Compounds, etc. (Chiral);Synthetic Organic Chemistry;Chiral chemicals;Peptide;Oxazolidinone;Chiral Compounds;chiral;Chiral Reagent;Asymmetric Synthesis;Chiral Building Blocks;99395-88-7 |
| Mol File: | 99395-88-7.mol |
|
(S)-(+)-4-Phenyl-2-oxazolidinone Chemical Properties
| Melting point | 129-132 °C(lit.) |
| alpha | 49.5 º (c=2, CHCl3) |
| Boiling point | 290.25°C (rough estimate) |
| density | 1.2021 (rough estimate) |
| refractive index | 72 ° (C=1, AcOEt) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | 12.05±0.40(Predicted) |
| form | Crystalline Powder |
| color | White |
| Optical Rotation | [α]20/D +48°, c = 2 in chloroform |
| BRN | 131918 |
| InChI | 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-/m1/s1 |
| InChIKey | QDMNNMIOWVJVLY-MRVPVSSYSA-N |
| SMILES | O1C[C@H](C2=CC=CC=C2)NC1=O |
| CAS DataBase Reference | 99395-88-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,F+ |
| Risk Statements | 12-36 |
| Safety Statements | 24/25-33-26-16-7/9 |
| WGK Germany | 3 |
| F | 3-9 |
| HS Code | 29349990 |
| Storage Class | 11 - Combustible Solids |
(S)-(+)-4-Phenyl-2-oxazolidinone Usage And Synthesis
| Chemical Properties | white to light yellow crystal powde |
| Uses | S)-4-Phenyl-2-oxazolidinone is an intermediate for the synthesis and development for cholesterol absorption inhibitor AZD4121. |
| Uses | Ezetimibe intermediate |
| Uses | Versatile chiral auxiliary for asymmetric synthesis which is easily recycled under mild conditions, thus enhancing its commercial potential. For a recent review, see Aldrichimica Acta . |
(S)-(+)-4-Phenyl-2-oxazolidinone Preparation Products And Raw materials
| Raw materials | L-Proline, 3-methyl-5-oxo-, (3S)--->(R,E)-3-(BUT-2-ENOYL)-4-PHENYLOXAZOLIDIN-2-ONE-->BOC-L-Phenylglycinol-->Ethyl cyanoglyoxylate-2-oxime-->L-Phenylglycine-->(S)-(+)-2-Phenylglycinol-->D-Phenylglycinol |
| Preparation Products | (R)-(-)-4-Phenyl-2-oxazolidinone-->(S)-4-PHENYL-1,3-OXAZOLIDINE-2-THIONE-->(4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone-->(R)-(-)-2-Phenylpropionic acid |
