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804274

XPhos Pd G4

Name: XPhos Pd G4
Brand: ALDRICH

95%, powder

Synonym(s):

(SP-4-3)-[Dicyclohexyl[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium

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About This Item

Empirical Formula (Hill Notation):

C₄₇H₆₄NO₃PPdS

CAS Number:

1599466-81-5

Molecular Weight:

860.47

UNSPSC Code:

12161600

PubChem Substance ID:

329768856

NACRES:

NA.22

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Properties

Product Name

XPhos Pd G4, 95%

Quality Segment

100

product line

Buchwald precatalyst Generation 4

assay

95%

form

powder

feature

generation 4

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

mp

150 °C

functional group

phosphine

SMILES string

CC(C)C1=CC(C(C)C)=CC(C(C)C)=C1C2=C([P+](C3CCCCC3)([Pd-2]4(OS(C)(=O)=O)C(C=CC=C5)=C5C6=C([NH+]4C)C=CC=C6)C7CCCCC7)C=CC=C2

InChI

1S/C33H49P.C13H12N.CH4O3S.Pd/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;2-7,9-10,14H,1H3;1H3,(H,2,3,4);/q;;;+1/p-1

InChI key

LJYHQNMVCGMPIU-UHFFFAOYSA-M

Description

Application

A powerful ligand for classic cross-coupling reactions combined with the Buchwald Fourth Generation Palladacycle. Bench stable, soluble in most organic solvents.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

No data available

flash_point_c

No data available

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.

804274-5G: + 804274-VAR: + 804274-250MG: + 804274-1G: + IND879-BULK: + IND879-VAR: + 804274-BULK:

jan

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