RuPhos Pd G3 - ≥99,95% metales base , CAS No.1445085-77-7

CAS: 1445085-77-7 Cat. No.: R294379 Fórmula: C₄₃H₅₆NO₅PPdS Peso molecular: 836.37 Número EC: 809-028-5 PubChem CID: 117064724

GRADE & PURITY ≥99.95% metals basis

Synonyms

1445085-77-7|Metanosulfonato(2-dicyclohexylphosphino-2',6'-di-i-propoxy-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)|RuPhos-Pd-G3|MFCD22572684|dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;ácido metanosulfónico;paladio;2-phe

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Clase de producto

M-P, Catalizadores Homogéneos, M-N, Catalizador Buchwald, Catalizador Buchwald 3ª Generación, Ligandos Amino, Ligandos Fosforados - Aciral

Tipo de reacción

Reacciones de acoplamiento cruzado con arenos, Aminación, Aminación de Buchwald-Hartwig, Reacción de acoplamiento de Suzuki-Miyaura

Propiedades químicas

Fórmula química

C43H56NO5PPdS

Fórmula empírica

Pd(RuPhos)[2-(2'-amino-1,1'-bifenilo)](Ms)

Peso molecular

836.38

Metal

Pd

Contenido teórico en metal

13

Estado físico

polvo

Color

blanco a blanquecino

Pureza del metal

99.95

Specifications

Sinónimos

1445085-77-7 | Metanosulfonato(2-dicyclohexylphosphino-2',6'-di-i-propoxy-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II) | RuPhos-Pd-G3 | MFCD22572684 | dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;ácido metanosulfónico;paladio;2-phe

Especificaciones y pureza

≥99,95% metales base

Información jurídica

Producto de Umicore

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥99.95% metals basis

Nombres e identificadores

Sonrisas canónicas

CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]

IUPAC Name

dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline

InChIKey

GYTUQNMMIUJBSP-UHFFFAOYSA-N

INCHI

1S/C30H43O2P.C12H10N.CH4O3S.Pd/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h11-13,18-25H,5-10,14-17H2,1-4H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;

Isómeros SMILES

CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]

WGK Alemania

3

PubChem CID

117064724

Peso molecular

836.37

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: Phenoxy compounds Phenol ethers Aniline and substituted anilines Alkyl aryl ethers Primary aromatic amines Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Organic phosphines and derivatives Organic transition metal salts Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic anions
• Molecular Framework: Not available
• Substituents: Biphenyl - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Primary aromatic amine - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Phosphine - Organic transition metal salt - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Primary amine - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Organic anion - 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

• Punto de fusión (°C): 188-196 °C
• Peso molecular: 837.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 836.273 Da
• Monoisotopic Mass: 836.273 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 52
• Formal Charge: -1
• Complexity: 964.000
• 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: 4

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