(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 Molecular Weight: 258.36 EC Number: 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

Overview

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

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

Specifications & Purity

≥95%

Storage

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

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504766943
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766943
• Canonical Smiles: 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
• Isomeric SMILES: C1C[C@H]2C=C([C@@H]1C=C2C3=CC=CC=C3)C4=CC=CC=C4
• WGK Germany: 3
• PubChem CID: 12172177
• Molecular Weight: 258.36

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Melt Point(°C): 69 - 76 °C
• Molecular Weight: 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