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804959

DavePhos-Pd-G3

95%, solid

Synonym(s):

Methanesulfonato 2-dicyclohexylphosphino-2-(N,N-dimethylamino)biphenyl(2′-amino-1,1′-biphenyl-2-yl) palladium(II)

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About This Item

Empirical Formula (Hill Notation):
C39H49N2O3PPdS
CAS Number:
1445085-87-9
Molecular Weight:
763.28
UNSPSC Code:
12161600
PubChem Substance ID:
329768911
NACRES:
NA.22
MDL number:
MFCD27978422
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Product Name

DavePhos-Pd-G3, 95%

Quality Segment

100

product line

Buchwald precatalyst Generation 3

assay

95%

form

solid

feature

generation 3

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

impurities

<5% THF

mp

183-200 °C (decomp)

functional group

phosphine

SMILES string

CN(C)C1=C(C2=C(P(C3CCCCC3)C4CCCCC4)C=CC=C2)C=CC=C1.NC5=C(C6=C([Pd]OS(C)(=O)=O)C=CC=C6)C=CC=C5

InChI

1S/C26H36NP.C12H10N.CH4O3S.Pd/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h9-12,17-22H,3-8,13-16H2,1-2H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1

InChI key

FBIRGVXUSGLNQE-UHFFFAOYSA-M

General description

DavePhos-Pd-G3 is a modified G3 precatalyst (G3′). It has been synthesized by Buchwald and coworkers from second generation (G2) precatalyst by methylation of the amino group present on biphenyl backbone. It is a useful catalyst for various cross-coupling reactions. They are versatile catalysts. They have long life in solutions and are readily soluble in various organic solvents. G3- precatalysts have been employed in various C-N bond forming reactions.

Application

Pd precatalyst for cross-coupling

pictograms

Health hazard
GHS08

signalword

Warning

hcodes

H351

Hazard Classifications

Carc. 2

supp_hazards

EUH019

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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