(S)-(-)-2,2''-Bis[di(3,5-di-t-butylphenyl)phosphino]-6,6''-dimethoxy-1,1''-biphenyl - ≥97% , CAS No.167709-31-1

CAS: 167709-31-1 Cat. No.: S281807 Molecular Weight: 1031.46 EC Number: 811-690-5 PubChem CID: 10964351

GRADE & PURITY ≥97%

Synonyms

[2-[2-bis(3,5-ditert-butylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-ditert-butylphenyl)phosphane | (R)-(+)-2,2'-Bis[di(3,5-di-t-butylphenyl)phosphino]-6,6'-dimethoxy-1,1'-biphenyl | J-010389 | (R)-(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis[bi

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

[2-[2-bis(3, 5-ditert-butylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3, 5-ditert-butylphenyl)phosphane | (R)-(+)-2, 2'-Bis[di(3, 5-di-t-butylphenyl)phosphino]-6, 6'-dimethoxy-1, 1'-biphenyl | J-010389 | (R)-(6, 6'-Dimethoxybiphenyl-2, 2'-diyl)bis[bi

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765796
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765796
• Canonical Smiles: CC(C)(C)C1=CC(=CC(=C1)P(C2=CC=CC(=C2C3=C(C=CC=C3P(C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)OC)OC)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C(C)(C)C
• IUPAC Name: [2-[2-bis(3,5-ditert-butylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-ditert-butylphenyl)phosphane
• InChIKey: PBYRAYONARLAQJ-UHFFFAOYSA-N
• INCHI: 1S/C70H96O2P2/c1-63(2,3)45-33-46(64(4,5)6)38-53(37-45)73(54-39-47(65(7,8)9)34-48(40-54)66(10,11)12)59-31-27-29-57(71-25)61(59)62-58(72-26)30-28-32-60(62)74(55-41-49(67(13,14)15)35-50(42-55)68(16,17)18)56-43-51(69(19,20)21)36-52(44-56)70(22,23)24/h27-44H,1-26H3
• Isomeric SMILES: CC(C)(C)C1=CC(=CC(=C1)P(C2=CC=CC(=C2C3=C(C=CC=C3P(C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)OC)OC)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C(C)(C)C
• WGK Germany: 3
• PubChem CID: 10964351
• Molecular Weight: 1031.46

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 Phenylpropanes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Biphenyl - Phenylpropane - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Phenylphosphine - Alkyl aryl ether - Phosphine - Ether - Organophosphorus compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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

• Molecular Weight: 1031.500 g/mol
• XLogP3: 22.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 1030.69 Da
• Monoisotopic Mass: 1030.69 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 74
• Formal Charge: 0
• Complexity: 1430.000
• 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