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(4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone - 97%, high purity , CAS No.16251-45-9

COA

Grade & Purity:

≥97%

Cas Number: 16251-45-9
Molecular Weight: 177.2
MDL number: MFCD00066226
PubChem CID: 853161
PubChem SID: 504760269

In stock

Item Number

I167709

Grouped product items
SKU	Size	Availability	Price
I167709-250mg	250mg	3	$9.90
I167709-1g	1g	3	$18.90
I167709-5g	5g	5	$62.90
I167709-25g	25g	1	$219.90

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Chiral auxiliary (1)

Basic Description

Synonyms	(4S,5R)-4-methyl-5-phenyl-oxazolidin-2-one \| (4S,5R)-4-Methyl-5-phenyloxazolidin-2-one \| AC-33543 \| cis-4-Methyl-5-phenyloxazolidin-2-one \| MFCD00066226 \| 4-Methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-ol \| PZO2G7843G \| SCHEMBL4687 \| PS-3385 \| UNII-4KSX5DI61K
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	(4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone may be used to synthesize (4S,5R)-N-tert-butyloxycarbonyl)-4-methyl-5-carboxy-2-oxazolidinone[2] and (+)-pumiliotoxin B.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolidines
    - Subclass Oxazolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolidines
Subclass	Oxazolidines
Intermediate Tree Nodes	Not available
Direct Parent	Oxazolidinones
Alternative Parents	Benzene and substituted derivatives Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as oxazolidinones. These are compounds containing an oxazolidinone moiety, which is an oxazolidine bearing a ketone group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504760269
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760269
IUPAC Name	(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
INCHI	InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m0/s1
InChIKey	PPIBJOQGAJBQDF-CBAPKCEASA-N
Smiles	CC1C(OC(=O)N1)C2=CC=CC=C2
Isomeric SMILES	C[C@H]1[C@H](OC(=O)N1)C2=CC=CC=C2
WGK Germany	3
Molecular Weight	177.2
Reaxy-Rn	142325
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142325&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
C2408407	Certificate of Analysis	Feb 26, 2024	I167709
D1925128	Certificate of Analysis	Feb 03, 2023	I167709

Chemical and Physical Properties

Melt Point(°C)	122℃
Molecular Weight	177.200 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	177.079 Da
Monoisotopic Mass	177.079 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	199.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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