ChemicalBook--->CAS DataBase List--->1599466-81-5

1599466-81-5

1599466-81-5 Structure

1599466-81-5 Structure
IdentificationBack Directory
[Name]

XPhos Palladacycle Gen. 4
[CAS]

1599466-81-5
[Synonyms]

Methanesulfonato(2-dicyclohexylphosphino-2',4',6'-tri-i-propyl-1,1'-biphenyl)(2'-methylamino-1,1'-biphenyl-2-yl)palladium(II)
(SP-4-3)-[Dicyclohexyl[2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]phosphine](methanesulfonato)[2'-(methylamino)[1,1'-biphenyl]-2-yl]palladium
[Molecular Formula]

C47H64NO3PPdS
[MDL Number]

MFCD28411652
[MOL File]

1599466-81-5.mol
[Molecular Weight]

860.49
Chemical PropertiesBack Directory
[Melting point ]

150 °C
[storage temp. ]

2-8°C, protect from light, stored under nitrogen
[form ]

Powder
[color ]

white to off-white
[InChIKey]

RWNNUNWRORBXQJ-UHFFFAOYSA-N
[SMILES]

P(C1CCCCC1)(C1CCCCC1)(C1C=CC=CC=1C1C(=CC(C(C)C)=CC=1C(C)C)C(C)C)[Pd+2]1(N(C2=CC=CC=C2C2=CC=CC=[C-]12)C)[O-]S(=O)(=O)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Powder. Bench stable, soluble in most organic solvents.
[Uses]

A powerful ligand for classic cross-coupling reactions combined with the Buchwald Fourth Generation Palladacycle. Bench stable, soluble in most organic solvents.
[reaction suitability]

reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Cross Couplings
reaction type: Heck Reaction
reaction type: Hiyama Coupling
reaction type: Negishi Coupling
reaction type: Sonogashira Coupling
reaction type: Stille Coupling
reaction type: Suzuki-Miyaura Coupling
reagent type: catalyst
[Synthesis]

A dry round-bottomed flask (25 mL) was equipped with a stirring bar and then palladium dimer methanesulfonate (1 mmol) and XPhos (0.953 g) were added to the reaction flask under nitrogen atmosphere. Dry dichloromethane was added to the above reaction mixt
Questions and Answers (Q&A)Back Directory
[Reactions]

Palladium catalyst used in the Suzuki-Miyaura coupling of unstable boronic acids. Reactions of 1599466-81-5
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