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Merck
CN

937398

(tBuXPhos)Pd(p-CH3C6H4(Cl)

greener alternative

powder or crystals

Synonym(s):

[bis(1,1-dimethylethyl)[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl-κC1′]phosphine-κP]chloro(4-methylphenyl), tBuXPhos Pd G6 Cl Palladium

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About This Item

Empirical Formula (Hill Notation):
C36H52ClPPd
CAS Number:
2213440-93-6
Molecular Weight:
657.64
UNSPSC Code:
12352142
NACRES:
NA.21

Key Documents

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Product Name

(tBuXPhos)Pd(p-CH3C6H4(Cl),

SMILES string

Cl[Pd](C1=CC=C(C)C=C1)[P](C2=CC=CC=C2C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)(C(C)(C)C)C(C)(C)C

Quality Level

100

InChI

InChI=1S/C29H45P.C7H7.ClH.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;1-7-5-3-2-4-6-7;;/h13-21H,1-12H3;3-6H,1H3;1H;/q;-1;;+2/p-1

InChI key

QBOPPKASUOUFQF-UHFFFAOYSA-M

product line

Buchwald precatalyst Generation 6

form

powder or crystals

reaction suitability

reaction type: Cross Couplings

greener alternative product characteristics

Catalysis
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color

white to faint beige

functional group

(Palladium), phosphine

greener alternative category

Aligned

storage temp.

room temp

Related Categories

General description

(tBuXPhos)Pd(p-CH3C6H4(Cl) is a G6 Buchwald precatalyst. The G6 precatalysts are air-stable, palladium-based oxidative addition complexes (OACs) that offer an alternative to the previously developed classes of palladacycle precatalysts. Unlike previous generations, the bulkiest biarylphosphine ligand precatalysts are readily prepared. These precatalysts have been shown to be effective for many reactions, including C-N, C-O, and C-F cross couplings.
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Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000353950
0000312866
0000353950
0000312866

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