(R)-(+)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine - ≥97% , CAS No.221012-82-4

CAS: 221012-82-4 Cat. No.: T121324 Molecular Weight: 644.64 PubChem CID: 11158950

GRADE & PURITY ≥97%

Synonyms

E77240 | (R)-(+)-2,2',6,6'-Tetramethoxy-4,4'-bis(diphenylphosphino)-3,3'-bipyridine, 97% | P-PHOS Ligands, (R)-p-phos- | (R)-(+)-2,2 inverted exclamation marka,6,6 inverted exclamation marka-Tetramethoxy-4,4 inverted exclamation marka-bis(diphenylphosphin

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

E77240 | (R)-(+)-2, 2', 6, 6'-Tetramethoxy-4, 4'-bis(diphenylphosphino)-3, 3'-bipyridine, 97% | P-PHOS Ligands, (R)-p-phos- | (R)-(+)-2, 2 inverted exclamation marka, 6, 6 inverted exclamation marka-Tetramethoxy-4, 4 inverted exclamation marka-bis(diphenylphosphin

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504766089
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766089
• Canonical Smiles: COC1=NC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(C=C4P(C5=CC=CC=C5)C6=CC=CC=C6)OC)OC)OC
• IUPAC Name: [3-(4-diphenylphosphanyl-2,6-dimethoxypyridin-3-yl)-2,6-dimethoxypyridin-4-yl]-diphenylphosphane
• InChIKey: JZOSBBLJKXSBBN-UHFFFAOYSA-N
• INCHI: 1S/C38H34N2O4P2/c1-41-33-25-31(45(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35(37(39-33)43-3)36-32(26-34(42-2)40-38(36)44-4)46(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26H,1-4H3
• Isomeric SMILES: COC1=NC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(C=C4P(C5=CC=CC=C5)C6=CC=CC=C6)OC)OC)OC
• WGK Germany: 3
• PubChem CID: 11158950
• Molecular Weight: 644.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Organic phosphines and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Phosphine - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organophosphorus compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: +98°, c = 1 in chloroform
• Melt Point(°C): 261-265°C
• Molecular Weight: 644.600 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 644.199 Da
• Monoisotopic Mass: 644.199 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 771.000
• 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