(R)-DM-BINAP - ≥98% , CAS No.137219-86-4

CAS: 137219-86-4 Cat. No.: R115620 Fórmula: C₅₂H₄₈P₂ Peso molecular: 734.89 Número EC: 681-153-6

GRADE & PURITY ≥98%

Synonyms

(S)-2,2'-Bis(bis(3,5-dimethylphenyl)phosphino)-1,1'-binaphthalene | PHOSPHINE,1,1'-[[1,1'-BINAPHTHALENE]-2,2'-DIYL]BIS[1,1-BIS(3,5-DIMETHYLPHENYL)- | 2,2'-bis[di(3,5-dimethylphenyl)phosphino]-1,1'-binaphthyl | AS-71885 | (R)-2,2'-Bis(di-3,5-xylylphosphino

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Takasago Ligands and Complexes for Asymmetric Reactions

Specifications

Sinónimos

(S)-2,2'-Bis(bis(3,5-dimethylphenyl)phosphino)-1,1'-binaphthalene | PHOSPHINE,1,1'-[[1,1'-BINAPHTHALENE]-2,2'-DIYL]BIS[1,1-BIS(3,5-DIMETHYLPHENYL)- | 2,2'-bis[di(3,5-dimethylphenyl)phosphino]-1,1'-binaphthyl | AS-71885 | (R)-2,2'-Bis(di-3,5-xylylphosphino

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

508806618

Sonrisas canónicas

CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C

IUPAC Name

[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane

InChIKey

MXGXXBYVDMVJAO-UHFFFAOYSA-N

INCHI

1S/C52H48P2/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h9-32H,1-8H3

Isómeros SMILES

CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C

WGK Alemania

3

Peso molecular

734.89

Reaxy-Rn

10050978

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10050978&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Naphthalenes m-Xylenes Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylphosphine - Naphthalene - M-xylene - Xylene - Phenylphosphine - Phosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water
• Sensibilidad: Air and moisture sensitive
• Rotación específica [α]: 169° (C=1,CHCl3)
• Punto de fusión (°C): 187-191°C
• Peso molecular: 734.900 g/mol
• XLogP3: 14.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 734.323 Da
• Monoisotopic Mass: 734.323 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 999.000
• 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