(R)-(-)-4-Phenyloxazolidin-2-one - CAS 90319-52-1
Catalog: |
BB039813 |
Product Name: |
(R)-(-)-4-Phenyloxazolidin-2-one |
CAS: |
90319-52-1 |
Synonyms: |
2-Oxazolidinone, 4-phenyl-, (4R)-; (4R)-4-Phenyl-2-oxazolidinone; 2-Oxazolidinone, 4-phenyl-, (R)-; (-)-4-Phenyl-2-oxazolidinone; (4R)-(-)-4-Phenyl-2-oxazolidinone; (4R)-4-Phenyloxazolidin-2-one; (R)-(-)-4-Phenyl-2-oxazolidinone; (R)-4-Phenyl-1,3-oxazolidin-2-one; (R)-4-Phenyl-2-oxazolidinone; (R)-Phenyloxazolidinone; 4(R)-Phenyl-2-oxazolidinone |
Related CAS: | 99395-88-7 (S-isomer)
|
IUPAC Name: | (4R)-4-phenyl-1,3-oxazolidin-2-one |
Description: | An impurity of Ezetimibe. Ezetimibe inhibits intestinal cholesterol absorption by preventing cholesterol uptake by the Niemann-Pick C1-like 1 (NPC1L12) protein, a cholesterol transporter located in the apical membrane of enterocytes. |
Molecular Weight: | 163.18 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | C1C(NC(=O)O1)C2=CC=CC=C2 |
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-/m0/s1 |
InChI Key: | QDMNNMIOWVJVLY-QMMMGPOBSA-N |
Boiling Point: | 407.0±25.0°C at 760 mmHg |
Melting Point: | 129-131°C |
Purity: | ≥95% |
Density: | 1.195±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly) |
Appearance: | White to off-white crystalline powder |
Storage: | Store at -20°C |
MDL: | MFCD00192393 |
LogP: | 1.79630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112251479-A | Method for synthesizing chiral oxazolidinone compound by double-enzyme cascade catalysis | 20201027 |
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EP-3858439-A1 | Amide derivatives having multimodal activity against pain | 20200203 |
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CN-113072476-A | ROR gamma t inhibitor and preparation method and application thereof | 20200106 |
PMID | Publication Date | Title | Journal |
21851070 | 20110914 | Stereoselectivities and regioselectivities of (4 + 3) cycloadditions between allenamide-derived chiral oxazolidinone-stabilized oxyallyls and furans: experiment and theory | Journal of the American Chemical Society |
18576686 | 20080801 | Total synthesis of (+/-)-flustramines A and C, (+/-)-flustramide A, and (-)- and (+)-debromoflustramines A | The Journal of organic chemistry |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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