(R)-(+)-4-Benzyl-5,5-dimethyl-2-oxazolidinone - ≥98% , CAS No.204851-73-0

CAS: 204851-73-0 Cat. No.: I168422 Molecular Weight: 205.25 EC Number: 630-678-9

GRADE & PURITY ≥98%

Synonyms

(4R)-4-Benzyl-5,5-dimethyl-1,3-oxazolidin-2-one | (R)-4-Benzyl-5,5-dimethyloxazolidin-2-one | DTXSID70459425 | SCHEMBL2369273 | (R)-(+)-4-Benzyl-5,5-dimethyl-2-oxazolidinone, 98% | BS-50396 | E78321 | AKOS015888877 | J-013349 | (R)-(+)-4-Benzyl-5,5-dimeth

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

(4R)-4-Benzyl-5, 5-dimethyl-1, 3-oxazolidin-2-one | (R)-4-Benzyl-5, 5-dimethyloxazolidin-2-one | DTXSID70459425 | SCHEMBL2369273 | (R)-(+)-4-Benzyl-5, 5-dimethyl-2-oxazolidinone, 98% | BS-50396 | E78321 | AKOS015888877 | J-013349 | (R)-(+)-4-Benzyl-5, 5-dimeth

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766186
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766186
• Canonical Smiles: CC1(C(NC(=O)O1)CC2=CC=CC=C2)C
• IUPAC Name: (4R)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one
• InChIKey: AEEGFEJKONZGOH-SNVBAGLBSA-N
• INCHI: 1S/C12H15NO2/c1-12(2)10(13-11(14)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m1/s1
• Isomeric SMILES: CC1([C@H](NC(=O)O1)CC2=CC=CC=C2)C
• WGK Germany: 3
• Molecular Weight: 205.25
• Reaxy-Rn: 8111321
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8111321&ln=

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 Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - Oxazolidinone - Monocyclic benzene moiety - Carbamic acid ester - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

Data sources

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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 205.250 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.11 Da
• Monoisotopic Mass: 205.11 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 244.000
• 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