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Safety Information

900620

Sigma-Aldrich

4MetBuXPhos Pd G3

Synonym(s):

Methanesulfonato (2-di-tert-butylphosphino-3,4,5,6-tetramethyl-2′,4′,6′-triisopropyl-1,1-biphenyl)(2′-amino-1,1′-biphenyl-2-yl) palladium(II)

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About This Item

Empirical Formula (Hill Notation):
C46H66NO3PPdS
CAS Number:
1507403-85-1
Molecular Weight:
850.48
MDL number:
MFCD28009172
UNSPSC Code:
12161600
NACRES:
NA.22

form

powder

Quality Level

100

feature

generation 3

reaction suitability

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

functional group

phosphine

SMILES string

O=S(=O)([O-][Pd+2]1([C-]=2C=CC=CC2C=3C=CC=CC3[NH2]1)[P](C4=C(C=5C(=CC(=CC5C(C)C)C(C)C)C(C)C)C(=C(C(=C4C)C)C)C)(C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C33H53P.C12H10N.CH4O3S.Pd/c1-19(2)26-17-27(20(3)4)30(28(18-26)21(5)6)29-24(9)22(7)23(8)25(10)31(29)34(32(11,12)13)33(14,15)16;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h17-21H,1-16H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;+2/p-1

InChI key

XHETXDRRRUEBJH-UHFFFAOYSA-M

Application

4MetBuXPhos Pd G3 is a third generation (G3) Buchwald palladium precatalyst for cross-coupling, demonstrating improved stability and reactivity from previous generations. This same product was formerly listed under RNI00184.

Other Notes

G3 and G4 Buchwald Precatalysts

related product

Product No.
Description
Pricing

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

900620-250MG:
900620-BULK:
900620-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN6778
SHBN0350
MKCD2917

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Articles

G3 and G4 Buchwald Precatalysts

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.

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