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761435

cataCXium^® A Pd G3

Name: cataCXium<SUP>&#174;</SUP> A Pd G3
Brand: ALDRICH

95%, solid

Greener Alternative

Synonym(s):

Mesylate[(di(1-adamantyl)-n-butylphosphine)-2-(2′-amino-1,1′-biphenyl)]palladium(II), [(Di(1-adamantyl)-butylphosphine)-2-(2′-amino-1,1′-biphenyl)]palladium(II) methanesulfonate, cataCXium-A-Pd-G3

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About This Item

Empirical Formula (Hill Notation):

C₃₇H₅₂NO₃PPdS

CAS Number:

1651823-59-4

Molecular Weight:

728.27

UNSPSC Code:

12352300

PubChem Substance ID:

329766937

NACRES:

NA.22

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Properties

Product Name

cataCXium^® A Pd G3, 95%

product line

Buchwald precatalyst Generation 3

Quality Segment

100

assay

95%

form

solid

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

greener alternative product score

old score: 16
new score: 2
Find out more about DOZN™ Scoring

greener alternative product characteristics

Waste Prevention
Atom Economy
Safer Solvents and Auxiliaries
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

impurities

≤3% acetone

mp

196-241 °C (decomposition)

functional group

phosphine

greener alternative category

Re-engineered

SMILES string

CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.CCCCP([C@@]34C[C@@H]5C[C@@H](C[C@@H](C5)C3)C4)[C@@]67C[C@@H]8C[C@@H](C[C@@H](C8)C6)C7

InChI

1S/C24H39P.C12H10N.CH4O3S.Pd/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h17-22H,2-16H2,1H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1/t17-,18+,19-,20-,21+,22-,23-,24-;;;

InChI key

REYVZCOGMIXVNX-DVBMAMJVSA-M

Description

General description

We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives. This product belongs to category of Re-engineered products, showing key improvements in Green Chemistry Principles “Waste Prevention”, “Safer Solvents and Auxiliaries” and “Atom Economy”. Click here to view its DOZN scorecard.

Application

cataCXium^® A Pd G3 is a Buchwald third-generation precatalyst that can be used in:

Direct ortho-arylation of pyridinecarboxylic acids.
Catalyzing Suzuki–Miyaura cross-coupling in the synthesis of 1-heteroaryl-3-azabicyclo[3.1.0]hexanes.
Palladium-catalyzed carbonylative carboperfluoroalkylation of alkynes.
Suzuki–Miyaura coupling reaction of geminal bis(boryl)cyclopropanes in the synthesis of various gem-disubstituted cyclopropanes.
Boroperfluoroalkylation of terminal alkynes.
Copper-free Sonogashira coupling reaction of aromatic halides with alkynes to form C-C bond.
Suzuki cross-coupling between organotrifluoroborate and aryl halides.

For small scale and high throughput uses, product is also available as ChemBeads (928305)

Legal Information

cataCXium is a registered trademark of Umicore AG & Co. KG

Storage Class

13 - Non Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)