804274

Sigma-Aldrich

XPhos Pd G4

95%

Empirical Formula (Hill Notation):
C47H64NO3PPdS
CAS Number:
Molecular Weight:
860.47
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

95%

form

powder

feature

generation 4

reaction suitability

core: palladium
reaction type: Buchwald-Hartwig Cross Coupling Reaction
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
reaction type: Cross Couplings

reagent type: ligand

mp

150 °C

functional group

phosphine

SMILES string

CC(C)C1=CC(C(C)C)=CC(C(C)C)=C1C2=C([P+](C3CCCCC3)([Pd-2]4(OS(C)(=O)=O)C(C=CC=C5)=C5C6=C([NH+]4C)C=CC=C6)C7CCCCC7)C=CC=C2

InChI

1S/C33H49P.C13H12N.CH4O3S.Pd/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;2-7,9-10,14H,1H3;1H3,(H,2,3,4);/q;;;+1/p-1

InChI key

LJYHQNMVCGMPIU-UHFFFAOYSA-M

Application

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

Packaging

1 g in glass bottle
250 mg in glass bottle

storage_class_code

11 - Combustible Solids

WGK Germany

WGK 3

Flash Point F

Not applicable

Flash Point C

Not applicable

Certificate of Analysis

Certificate of Origin

Articles
G3 and G4 Buchwald palladium precatalysts are the newest air, moisture, and thermally stable crossing-coupling complexes used in bond formation for their versatility and high reactivity.
Read More

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service