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(S)-(+)-5,5-Dimethyl-4-phenyl-2-oxazolidinone - 98%, high purity , CAS No.168297-84-5

COA

Grade & Purity:

≥98%

Cas Number: 168297-84-5
Molecular Weight: 191.23
MDL number: MFCD00274262
PubChem CID: 2733820
PubChem SID: 504761035

In stock

Item Number

I134321

Grouped product items
SKU	Size	Availability	Price
I134321-100mg	100mg	5	$34.90
I134321-250mg	250mg	5	$65.90
I134321-1g	1g	5	$201.90

Basic Description

Synonyms	168297-84-5 \| (S)-5,5-Dimethyl-4-phenyl-2-oxazolidinone \| (S)-Phenyl superquat \| (S)-(+)-5,5-Dimethyl-4-phenyl-2-oxazolidinone \| (4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one \| 2-Oxazolidinone, 5,5-dimethyl-4-phenyl-, (4S)- \| (S)-5,5-dimethyl-4-phenyloxazolidin-2-o
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	504761035
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761035
IUPAC Name	(4S)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
INCHI	InChI=1S/C11H13NO2/c1-11(2)9(12-10(13)14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m0/s1
InChIKey	HSQRCAULDOQKPF-VIFPVBQESA-N
Smiles	CC1(C(NC(=O)O1)C2=CC=CC=C2)C
Isomeric SMILES	CC1([C@@H](NC(=O)O1)C2=CC=CC=C2)C
WGK Germany	3
Molecular Weight	191.23
Reaxy-Rn	1211327
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1211327&ln=

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

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6 results found

Lot Number	Certificate Type	Date	Item
D23201031	Certificate of Analysis	Feb 07, 2025	I134321
D23201038	Certificate of Analysis	Feb 07, 2025	I134321
D23201032	Certificate of Analysis	Feb 07, 2025	I134321
D23201022	Certificate of Analysis	Feb 07, 2025	I134321
D23201039	Certificate of Analysis	Feb 07, 2025	I134321
D23201028	Certificate of Analysis	Feb 07, 2025	I134321

Chemical and Physical Properties

Specific Rotation[α]	[α]25/D +71°, c = 2 in chloroform
Melt Point(°C)	151-156 °C (lit.)
Molecular Weight	191.230 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	191.095 Da
Monoisotopic Mass	191.095 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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