(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone - ≥98% , CAS No.86286-50-2

CAS: 86286-50-2 Cat. No.: R472663 Molecular Weight: 239.27 EC Number: 623-039-0 PubChem CID: 10868374

GRADE & PURITY ≥98%

Synonyms

(4r,5s)-4,5-dipheny-loxazolidin-2-one | (4R,5S)-4,5-DIPHENYLOXAZOLIDIN-2-ONE | SCHEMBL2798313 | 2-Oxazolidinone, 4,5-diphenyl-, cis- | (4R,5S)-4,5-Diphenyl-1,3-oxazolidin-2-one | (4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone, 98% | (4R,5S)-(+)-cis-4,5-Diph

Storage

Room temperature

Overview

Description

Versatile chiral auxiliary for asymmetric synthesis.

Specifications

Synonyms

(4r, 5s)-4, 5-dipheny-loxazolidin-2-one | (4R, 5S)-4, 5-DIPHENYLOXAZOLIDIN-2-ONE | SCHEMBL2798313 | 2-Oxazolidinone, 4, 5-diphenyl-, cis- | (4R, 5S)-4, 5-Diphenyl-1, 3-oxazolidin-2-one | (4R, 5S)-(+)-cis-4, 5-Diphenyl-2-oxazolidinone, 98% | (4R, 5S)-(+)-cis-4, 5-Diph

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2C(OC(=O)N2)C3=CC=CC=C3
• IUPAC Name: (4R,5S)-4,5-diphenyl-1,3-oxazolidin-2-one
• InChIKey: LTENIVFVXMCOQI-KGLIPLIRSA-N
• INCHI: 1S/C15H13NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,16,17)/t13-,14+/m1/s1
• Isomeric SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=O)N2)C3=CC=CC=C3
• PubChem CID: 10868374
• Molecular Weight: 239.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Oxazolidinones Benzene and substituted derivatives Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Oxazolidine - Carbamic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 227-230℃ (lit.)
• Molecular Weight: 239.270 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 239.095 Da
• Monoisotopic Mass: 239.095 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 293.000
• 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