Tetramethyl tBuXPhos - ≥98% , CAS No.857356-94-6

CAS: 857356-94-6 Cat. No.: T139345 Peso molecular: 480.75 Número EC: 813-582-3 PubChem CID: 11953610

GRADE & PURITY ≥98%

Synonyms

2-Di-tert-butylphosphino-3,4,5,6-tetramethyl-2a(2),4a(2),6a(2)-triisopropyl-1,1a(2)-biphenyl | 2-(di-tert-butylphosphino)-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl | di-tert-butyl(2',4',6'-triisopropyl-3,4,5,6-tetramethyl-[1,1'-biphenyl]-2-y

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Tetramethyl tBuXPhos is a ligand employed in a palladium-catalyzed amidation of aryl chlorides
A ligand for palladium-catalyzed amidation of aryl chlorides

Specifications

Sinónimos

2-Di-tert-butylphosphino-3, 4, 5, 6-tetramethyl-2a(2), 4a(2), 6a(2)-triisopropyl-1, 1a(2)-biphenyl | 2-(di-tert-butylphosphino)-3, 4, 5, 6-tetramethyl-2', 4', 6'-triisopropyl-1, 1'-biphenyl | di-tert-butyl(2', 4', 6'-triisopropyl-3, 4, 5, 6-tetramethyl-[1, 1'-biphenyl]-2-y

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766804
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766804
• Sonrisas canónicas: CC1=C(C(=C(C(=C1C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)P(C(C)(C)C)C(C)(C)C)C)C
• IUPAC Name: ditert-butyl-[2,3,4,5-tetramethyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
• InChIKey: RCRYEYMHBHPZQD-UHFFFAOYSA-N
• INCHI: 1S/C33H53P/c1-19(2)26-17-27(20(3)4)30(28(18-26)21(5)6)29-24(9)22(7)23(8)25(10)31(29)34(32(11,12)13)33(14,15)16/h17-21H,1-16H3
• Isómeros SMILES: CC1=C(C(=C(C(=C1C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)P(C(C)(C)C)C(C)(C)C)C)C
• WGK Alemania: 3
• PubChem CID: 11953610
• Peso molecular: 480.75

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 Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Phosphine - 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

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 168-172 °C
• Peso molecular: 480.700 g/mol
• XLogP3: 9.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 480.388 Da
• Monoisotopic Mass: 480.388 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 600.000
• 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