(S)-Xyl-SDP - ≥97%,≥98%(ee) , CAS No.528521-89-3

CAS: 528521-89-3 Cat. No.: S282114 Molecular Weight: 700.9 PubChem CID: 11309256

GRADE & PURITY ≥97%,≥98%(ee)

Synonyms

J10011 | (S)-Xyl-SDP | SCHEMBL1224820 | (r)-(+)-7,7'-bis[di(3,5-dimethylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobiindane | [4'-bis(3,5-dimethylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(3,5-dimethylphenyl)phosphane | (s)-(-)-7,7'

Storage

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

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

J10011 | (S)-Xyl-SDP | SCHEMBL1224820 | (r)-(+)-7, 7'-bis[di(3, 5-dimethylphenyl)phosphino]-2, 2', 3, 3'-tetrahydro-1, 1'-spirobiindane | [4'-bis(3, 5-dimethylphenyl)phosphanyl-3, 3'-spirobi[1, 2-dihydroindene]-4-yl]-bis(3, 5-dimethylphenyl)phosphane | (s)-(-)-7, 7'

Specifications & Purity

≥97%, ≥98%(ee)

Legal Information

Spiro Bisphosphine Ligand Kit component

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

≥97%, ≥98%(ee)

Names and Identifiers

• Pubchem Sid: 504766274
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766274
• Canonical Smiles: CC1=CC(=CC(=C1)P(C2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
• IUPAC Name: [4'-bis(3,5-dimethylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(3,5-dimethylphenyl)phosphane
• InChIKey: AZSBNBQMIMQOPG-UHFFFAOYSA-N
• INCHI: 1S/C49H50P2/c1-31-19-32(2)24-41(23-31)50(42-25-33(3)20-34(4)26-42)45-13-9-11-39-15-17-49(47(39)45)18-16-40-12-10-14-46(48(40)49)51(43-27-35(5)21-36(6)28-43)44-29-37(7)22-38(8)30-44/h9-14,19-30H,15-18H2,1-8H3
• Isomeric SMILES: CC1=CC(=CC(=C1)P(C2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
• PubChem CID: 11309256
• Molecular Weight: 700.9

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Indanes m-Xylenes Organic phosphines and derivatives Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylphosphine - Indane - M-xylene - Xylene - Phenylphosphine - Phosphine - Hydrocarbon derivative - Organophosphorus compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl 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: air sensitive;light sensitive; Moisture sensitive
• Boil Point(°C): 794.8±60.0 °C
• Molecular Weight: 700.900 g/mol
• XLogP3: 13.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 700.339 Da
• Monoisotopic Mass: 700.339 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 967.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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