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Merck
CN

923524

(tBuMPhos)PdCl2

greener alternative

powder

Synonym(s):

1-Diadamantylphosphino-1′-di-tert-butylphosphinoferrocene palladium dichloride

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About This Item

Empirical Formula (Hill Notation):
C38H56Cl2FeP2Pd
CAS Number:
2768152-22-1
Molecular Weight:
807.97
UNSPSC Code:
12352200
NACRES:
NA.21
Form:
powder

Key Documents

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Product Name

(tBuMPhos)PdCl2,

SMILES string

[Cl-][Pd+2]1([Cl-])[P](C(C)(C)C)(C(C)(C)C)[C-]23[CH]4=[CH]5[CH]6=[CH]2[Fe+2]56789%1043[CH]=%11[CH]%10=[CH]9[C-]8([CH]%117)[P]1(C%12%13CC%14CC(CC(C%14)C%12)C%13)C%15%16CC%17CC(CC(C%17)C%15)C%16

InChI

InChI=1S/C25H34P.C13H22P.2ClH.Fe.Pd/c1-2-4-23(3-1)26(24-11-17-5-18(12-24)7-19(6-17)13-24)25-14-20-8-21(15-25)10-22(9-20)16-25;1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;;;;/h1-4,17-22H,5-16H2;7-10H,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2

InChI key

BJILVUSTVVKBGK-UHFFFAOYSA-L

form

powder

greener alternative product characteristics

Catalysis
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Greener Alternative Product

greener alternative category

Aligned

Quality Level

100

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General description

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Green Chemistry. This product has been enhanced for catalytic efficiency. Click here for more information.

Application

(tBuMPhos)PdCl2 is an unsymmetrical ferrocene-based phosphine ligand. The MPhos series of ligands are unsymmetrical diphosphino-ferrocenes bearing a bulky adamantyl group. Pd catalysts containing CyMPhos can be used for a variety of cross-coupling transformations, including Suzuki coupling, C-P coupling, and Csp2-Csp3 coupling. Demonstrated Csp2-Csp3 couplings include Murahashi-Feringa Coupling (Alkyl-Li), Kumada-Corriu coupling (Alkyl-MgX), Negishi coupling (Alkyl-ZnX) and Suzuki–Miyaura coupling (Alkyl-B(OR2)).

Other Notes

Tunable Unsymmetrical Ferrocene Ligands Bearing a Bulky Di-1-adamantylphosphino Motif for Many Kinds of Csp2–Csp3 Couplings

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW2467
MKCT6718
MKCZ3360

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