(R)-(+)-2,2'-Bis(diphenylphosphino)-6,6'-dimethoxy-1,1'-biphenyl - ≥97% , CAS No.133545-16-1

CAS: 133545-16-1 Cat. No.: R396776 Molecular Weight: 582.61 Beilstein Registry Number: 4790083 PubChem CID: 4246603

GRADE & PURITY ≥97%

Synonyms

133545-16-1|133545-17-2|(R)-(+)-(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphine)|(R)-(6,6'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(diphenylphosphine)|(S)-(6,6'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(diphenylphosphine)|[2-(2-diphenylphosphanyl-6-m

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

133545-16-1 | 133545-17-2 | (R)-(+)-(6, 6'-Dimethoxybiphenyl-2, 2'-diyl)bis(diphenylphosphine) | (R)-(6, 6'-dimethoxy-[1, 1'-biphenyl]-2, 2'-diyl)bis(diphenylphosphine) | (S)-(6, 6'-dimethoxy-[1, 1'-biphenyl]-2, 2'-diyl)bis(diphenylphosphine) | [2-(2-diphenylphosphanyl-6-m

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762935
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762935
• Canonical Smiles: COC1=C(C(=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)OC
• IUPAC Name: [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane
• InChIKey: KRJVQCZJJSUHHO-UHFFFAOYSA-N
• INCHI: 1S/C38H32O2P2/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3
• Isomeric SMILES: COC1=C(C(=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)OC
• WGK Germany: 3
• PubChem CID: 4246603
• Molecular Weight: 582.61
• Beilstein: 4790083

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: Biphenyls and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Biphenyl - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Phenylphosphine - Phosphine - Ether - Organophosphorus compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Aromatic homomonocyclic 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: light sensitive
• Molecular Weight: 582.600 g/mol
• XLogP3: 8.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 582.188 Da
• Monoisotopic Mass: 582.188 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 667.000
• 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