(S)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis(di-2-furylphosphine) - ≥97%,≥99%(ee) , CAS No.145214-59-1

CAS: 145214-59-1 Cat. No.: S464384 Molecular Weight: 542.46 EC Number: 816-313-8 PubChem CID: 15307805

Synonyms

J-008072 | (R)-(+)-2,2/'-Bis(di-2-furanylphosphino)-6,6/'-dimethoxy-1,1/'-biphenyl,min.97per cent | (R)-(+)-2,2'-Bis(di-2-furanylphosphino)-6,6'-dimethoxy-1,1'-biphenyl,min.97% | (S)-(-)-2,2/'-Bis(di-2-furanylphosphino)-6,6/'-dimethoxy-1,1/'-biphenyl,min.

Storage

Room temperature

Overview

sold in collaboration with Solvias AGAtropisomeric MeOBIPHEP ligands

Specifications

Synonyms

J-008072 | (R)-(+)-2, 2/'-Bis(di-2-furanylphosphino)-6, 6/'-dimethoxy-1, 1/'-biphenyl, min.97per cent | (R)-(+)-2, 2'-Bis(di-2-furanylphosphino)-6, 6'-dimethoxy-1, 1'-biphenyl, min.97% | (S)-(-)-2, 2/'-Bis(di-2-furanylphosphino)-6, 6/'-dimethoxy-1, 1/'-biphenyl, min.

Specifications & Purity

≥97%, ≥99%(ee)

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: COC1=C(C(=CC=C1)P(C2=CC=CO2)C3=CC=CO3)C4=C(C=CC=C4P(C5=CC=CO5)C6=CC=CO6)OC
• IUPAC Name: [2-[2-[bis(furan-2-yl)phosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]-bis(furan-2-yl)phosphane
• InChIKey: ABGYJVGTLXSMBM-UHFFFAOYSA-N
• INCHI: 1S/C30H24O6P2/c1-31-21-9-3-11-23(37(25-13-5-17-33-25)26-14-6-18-34-26)29(21)30-22(32-2)10-4-12-24(30)38(27-15-7-19-35-27)28-16-8-20-36-28/h3-20H,1-2H3
• Isomeric SMILES: COC1=C(C(=CC=C1)P(C2=CC=CO2)C3=CC=CO3)C4=C(C=CC=C4P(C5=CC=CO5)C6=CC=CO6)OC
• WGK Germany: 3
• PubChem CID: 15307805
• Molecular Weight: 542.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Heteroaromatic compounds Furans Organic phosphines and derivatives Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Furan - Heteroaromatic compound - Phosphine - Ether - Organoheterocyclic compound - Oxacycle - Organopnictogen compound - Organophosphorus compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

• Molecular Weight: 542.500 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 542.105 Da
• Monoisotopic Mass: 542.105 Da
• Topological Polar Surface Area: 71.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 652.000
• 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