(1S,4S)-2,5-Diphenylbicyclo[2,2,2]octa-2,5-diene - ≥95% , CAS No.850409-83-5

CAS: 850409-83-5 Cat. No.: S467435 Peso molecular: 258.36 Número EC: 632-935-0 PubChem CID: 12172177

GRADE & PURITY ≥95%

Synonyms

RS-1000 | (1S,4S)-2,5-Diphenylbicyclo[2,2,2]octa-2,5-diene | (1S,4S)-2,5-Diphenylbicyclo[2.2.2]octa-2,5-diene | AKOS017342859 | DTXSID70479143 | (1S,4S)-2,5-Diphenylbicyclo[2,2,2]octa-2,5-diene, 95% | MFCD15143645 | (1S,4S)-2,5-Diphenylbicylco-[2.2.2]octa

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Application：

(1S,4S)-2,5-Diphenylbicyclo[2,2,2]octa-2,5-diene can be used as a chiral diene ligand in the preparation of 1-methoxy-5,6,9,10-tetrahydro[6]helicene.

Specifications

Sinónimos

RS-1000 | (1S, 4S)-2, 5-Diphenylbicyclo[2, 2, 2]octa-2, 5-diene | (1S, 4S)-2, 5-Diphenylbicyclo[2.2.2]octa-2, 5-diene | AKOS017342859 | DTXSID70479143 | (1S, 4S)-2, 5-Diphenylbicyclo[2, 2, 2]octa-2, 5-diene, 95% | MFCD15143645 | (1S, 4S)-2, 5-Diphenylbicylco-[2.2.2]octa

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504766943
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766943
• Sonrisas canónicas: C1CC2C=C(C1C=C2C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: (1S,4S)-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
• InChIKey: BDYBOFJAEBJDMI-ROUUACIJSA-N
• INCHI: 1S/C20H18/c1-3-7-15(8-4-1)19-13-18-12-11-17(19)14-20(18)16-9-5-2-6-10-16/h1-10,13-14,17-18H,11-12H2/t17-,18-/m0/s1
• Isómeros SMILES: C1C[C@H]2C=C([C@@H]1C=C2C3=CC=CC=C3)C4=CC=CC=C4
• WGK Alemania: 3
• PubChem CID: 12172177
• Peso molecular: 258.36

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Sensibilidad: Light sensitive
• Punto de fusión (°C): 69 - 76 °C
• Peso molecular: 258.399 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 258.141 Da
• Monoisotopic Mass: 258.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 362.000
• 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