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

CAS: 1445085-77-7 Cat. No.: R167313 Fórmula: C₄₃H₅₆NO₅PPdS Peso molecular: 836.37 Número CE: 809-028-5 PubChem CID: 117064724

GRADE & PURITY ≥95%

Synonyms

dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline | Palladium, [2'-(amino-kappaN)[1,1'-biphenyl]-2-yl-kappaC][[2',6'-bis(1-methylethoxy)[1,1'-biphenyl]-2-yl]dicyclohexylphosphine-kappaP](methanes

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

Product class

M-P, Homogeneous Catalysts, M-N, Buchwald Catalyst, Buchwald Catalyst 3rd Generation, Amino Ligands, Phosphorus Ligands - Achiral

Reaction type

Cross Coupling Reactions with Arenes, Amination, Buchwald-Hartwig Aminaton, Suzuki-Miyaura Coupling Reaction

Chemical properties

Chemical formula

C43H56NO5PPdS

Empirical formula

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

Molecular weight

836.38

Metal

Pd

Theoretical metal content

13

Physical state

powder

Color

white to off-white

Specifications

Sinónimos

dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;methanesulfonic acid;palladium;2-phenylaniline | Palladium, [2'-(amino-kappaN)[1,1'-biphenyl]-2-yl-kappaC][[2',6'-bis(1-methylethoxy)[1,1'-biphenyl]-2-yl]dicyclohexylphosphine-kappaP](methanes

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

508811080

Sorrisos canónicos

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;;

SMILES isoméricas

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 Alemanha

3

PubChem CID

117064724

Peso molecular

836.37

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°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

XLogP3