2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl（X-Phos） - ≥97% , CAS No.564483-18-7

CAS: 564483-18-7 Cat. No.: D102808 Peso molecular: 476.72 Número EC: 611-387-6

GRADE & PURITY ≥97%

Synonyms

dicyclohexyl (2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine | dicyclohexyl[2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane | dicyclohexylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl | 2-DICYCLOHEXYLPHOSPHINO-2',4',6'-TRI-I-PROPYL-1,1'-BI

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Descripción general

It is a ligand for increased scope of Pd-catalyzed amination and amidation via arene sulfonates, aryl halides. It is a ligand used in a Pd-catalyzed Suzuki coupling leading to C-15 analogs of vindoline and direct annulation of 2-haloanilines to indoles and tryptophans.
Preferred ligand for greener Sonogashira coupling in TPGS-750-M. It may be used as a ligand in the following reactions: • Preparation of functionalized benzylic sulfones via palladium-catalyzed Negishi cross-coupling between alkyl sulfones and aryl halides. • Along with pre-milled palladium(II) acetate as a pre-catalyst for the Stille cross-coupling of aryl chlorides with tributylarylstannanes to form the corresponding biaryl compounds. •Along with platinum chloride to catalyze the hydrosilylation of terminal arylalkynes with silanes to form functionalized β-(E)-vinylsilanes

Specifications

Sinónimos

dicyclohexyl (2', 4', 6'-triisopropyl-[1, 1'-biphenyl]-2-yl)phosphine | dicyclohexyl[2', 4', 6'-tris(propan-2-yl)-[1, 1'-biphenyl]-2-yl]phosphane | dicyclohexylphosphino-2', 4', 6'-triisopropyl-1, 1'-biphenyl | 2-DICYCLOHEXYLPHOSPHINO-2', 4', 6'-TRI-I-PROPYL-1, 1'-BI

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488197229
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197229
• Sonrisas canónicas: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C
• IUPAC Name: dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
• InChIKey: UGOMMVLRQDMAQQ-UHFFFAOYSA-N
• INCHI: 1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3
• Isómeros SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C
• WGK Alemania: 3
• Peso molecular: 476.72
• Reaxy-Rn: 9448497
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9448497&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Phosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in organic solvents. Insoluble in water.
• Sensibilidad: Air sensitive.
• Punto de fusión (°C): 186-190°C
• Peso molecular: 476.700 g/mol
• XLogP3: 10.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 476.357 Da
• Monoisotopic Mass: 476.357 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 545.000
• 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

Referencias

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