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Merck

900620

4MetBuXPhos Pd G3

powder

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:
Molecular Weight:
850.48
NACRES:
NA.22
UNSPSC Code:
12161600
MDL number:
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Product Name

4MetBuXPhos Pd G3,

Quality Level

product line

Buchwald precatalyst Generation 3

form

powder

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.


Storage Class

11 - Combustible Solids

flash_point_f

Not applicable

flash_point_c

Not applicable



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