(S)-(-)-5,5-Diphenyl-4-(phenylmethyl)-2-oxazolidinone - ≥98% , CAS No.191090-38-7

CAS: 191090-38-7 Cat. No.: I168218 Peso molecular: 329.39

GRADE & PURITY ≥98%

Synonyms

191090-38-7|(S)-4-Benzyl-5,5-diphenyloxazolidin-2-one|(4S)-4-Benzyl-5,5-diphenyl-1,3-oxazolidin-2-one|(S)-(-)-5,5-Diphenyl-4-(phenylmethyl)-2-oxazolidinone|2-Oxazolidinone, 5,5-diphenyl-4-(phenylmethyl)-, (4S)-|(S)-(-)-5,5-DIPHENYL-4-BENZYL-2-OXZOLIDINONE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

191090-38-7 | (S)-4-Benzyl-5, 5-diphenyloxazolidin-2-one | (4S)-4-Benzyl-5, 5-diphenyl-1, 3-oxazolidin-2-one | (S)-(-)-5, 5-Diphenyl-4-(phenylmethyl)-2-oxazolidinone | 2-Oxazolidinone, 5, 5-diphenyl-4-(phenylmethyl)-, (4S)- | (S)-(-)-5, 5-DIPHENYL-4-BENZYL-2-OXZOLIDINONE

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196329
• Sonrisas canónicas: C1=CC=C(C=C1)CC2C(OC(=O)N2)(C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: (4S)-4-benzyl-5,5-diphenyl-1,3-oxazolidin-2-one
• InChIKey: XVHANMSUSBZRCX-FQEVSTJZSA-N
• INCHI: 1S/C22H19NO2/c24-21-23-20(16-17-10-4-1-5-11-17)22(25-21,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,23,24)/t20-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)C[C@H]2C(OC(=O)N2)(C3=CC=CC=C3)C4=CC=CC=C4
• WGK Alemania: 3
• Peso molecular: 329.39
• Reaxy-Rn: 280220
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=280220&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Oxazolidinones Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Oxazolidinone - Carbamic acid ester - Oxazolidine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Propiedades químicas y físicas

• Rotación específica [α]: [α]20/D -279°, c = 1 in chloroform
• Punto de fusión (°C): 250-254°C
• Peso molecular: 329.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 329.142 Da
• Monoisotopic Mass: 329.142 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 427.000
• 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