5-(di-tert-Butylphosphino)-1',3',5'-triphenyl-1'H-1,4'-bipyrazole - ≥98% , CAS No.894086-00-1

CAS: 894086-00-1 Cat. No.: D590603 Peso molecular: 506.62 Número EC: 814-047-7

GRADE & PURITY ≥98%

Synonyms

5-(DI-T-BUTYLPHOSPHINO)-1',3',5'-TRIPHENYL-1,4'-BI-1H-PYRAZOLE | 5-(di-tert-butylphosphanyl)-1',3',5'-triphenyl-1'H-1,4'-bipyrazole | 5-(DI-T-BUTYLPHOSPHINO)-1',3',5'-TRIPHENYL-1,4'-BI-1H-PYRAZOLE;5-(DI-TERT-BUTYLPHOSPHINO)-1',3',5'-TRIPHENYL-1'H-1,4-BIPY

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Product Application:

5-(Di-tert-butylphosphino)-1', 3', 5'-triphenyl-1'H-[1,4']bipyrazole is a non-proprietary ligand for palladium-catalyzed amination of aryl halides including aryl chlorides. Works best when the palladium source is Pd2(dba)3

Specifications

Sinónimos

5-(DI-T-BUTYLPHOSPHINO)-1', 3', 5'-TRIPHENYL-1, 4'-BI-1H-PYRAZOLE | 5-(di-tert-butylphosphanyl)-1', 3', 5'-triphenyl-1'H-1, 4'-bipyrazole | 5-(DI-T-BUTYLPHOSPHINO)-1', 3', 5'-TRIPHENYL-1, 4'-BI-1H-PYRAZOLE;5-(DI-TERT-BUTYLPHOSPHINO)-1', 3', 5'-TRIPHENYL-1'H-1, 4-BIPY

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766537
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766537
• Sonrisas canónicas: CC(C)(C)P(C1=CC=NN1C2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C
• IUPAC Name: ditert-butyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane
• InChIKey: PTXJGGGNGMPMBG-UHFFFAOYSA-N
• INCHI: 1S/C32H35N4P/c1-31(2,3)37(32(4,5)6)27-22-23-33-36(27)30-28(24-16-10-7-11-17-24)34-35(26-20-14-9-15-21-26)29(30)25-18-12-8-13-19-25/h7-23H,1-6H3
• Isómeros SMILES: CC(C)(C)P(C1=CC=NN1C2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C
• WGK Alemania: 3
• CAS alternativo: 894086-00-1
• Términos de entrada MeSH: bippyphos
• Peso molecular: 506.62
• Reaxy-Rn: 10602605
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10602605&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Organic phosphines and derivatives Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Phosphine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole 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

• Sensibilidad: Air sensitive;light sensitive
• Punto de fusión (°C): 169-173°C
• Peso molecular: 506.600 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 506.26 Da
• Monoisotopic Mass: 506.26 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 697.000
• 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