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939617

[IPent-H]₂Pd₂Cl₆

Name: [IPent-H]2Pd2Cl6
Brand: ALDRICH

≥95%, powder, crystals or chunks

Sustainability features

Synonym(s):

Bis-(1,3-bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium)-hexachloropalladate

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About This Item

Empirical Formula (Hill Notation):

C₇₀H₁₀₆Cl₆N₄Pd₂

Molecular Weight:

1429.18

NACRES:

NA.21

Assay:

≥95%

Form:

powder, crystals or chunks

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Properties

Product Name

[IPent-H]₂Pd₂Cl₆, ≥95%

Quality Segment

100

assay

≥95%

form

powder, crystals or chunks

reaction suitability

reagent type: catalyst
core: palladium
reaction type: Buchwald-Hartwig Amination, reagent type: catalyst
core: palladium
reaction type: Buchwald-Hartwig Cross Coupling Reaction, reagent type: catalyst
core: palladium
reaction type: Cross Couplings, reagent type: catalyst
core: palladium
reaction type: Heck Reaction, reagent type: catalyst
core: palladium
reaction type: Hiyama Coupling, reagent type: catalyst
core: palladium
reaction type: Negishi Coupling, reagent type: catalyst
core: palladium
reaction type: Sonogashira Coupling, reagent type: catalyst
core: palladium
reaction type: Stille Coupling, reagent type: catalyst
core: palladium
reaction type: Suzuki-Miyaura Coupling

sustainability

Sustainability features

color

white to very dark yellow-orange

greener alternative category

SMILES string

CCC(C(C=CC=C1C(CC)CC)=C1[N+]2=CN(C3=C(C(CC)CC)C=CC=C3C(CC)CC)C=C2)CC.Cl[Pd]4(Cl)[ClH][Pd](Cl)(Cl)[ClH]4.CCC(C(C=CC=C5C(CC)CC)=C5[N+]6=CN(C7=C(C(CC)CC)C=CC=C7C(CC)CC)C=C6)CC

InChI

GIKNOYGRKZIYDU-UHFFFAOYSA-J

InChI key

InChI=1S/2C35H53N2.4ClH.2Cl.2Pd/c2*1-9-26(10-2)30-19-17-20-31(27(11-3)12-4)34(30)36-23-24-37(25-36)35-32(28(13-5)14-6)21-18-22-33(35)29(15-7)16-8;;;;;;;;/h2*17-29H,9-16H2,1-8H3;4*1H;;;;/q2*+1;;;;;;;2*+2/p-4

Description

General description

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[IPent-H]₂Pd₂Cl₆ is an ionic tetrachloropalladate complex containing 2 equivalents of the cationic imadazolium ligand 1,3-bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium.

Application

Upon treatmeant with a suitable base, a catalytically active Pd-NHC complex can be generated in-situ. Suitable for use in difficult Suzuki-Miyaura and Buchwald-Hartwig cross-couplings reactions of aryl chlorides, and trans-amidation cross-coupling reactions of esters and amides.
New NHC-Pd complexes for cross-coupling of challenging aryl chlorides

Features and Benefits

[IPent-H]₂Pd₂Cl₆ offers similar or greater performance to other similar Pd-NHC precatalysts available while offering several major advatages:

The precatalyst avoids the use of ′throw away′ stabilizing ligands often used in similar Pd-NHC complexes.
The more sustainable synthesis of [IPent-H]₂Pd₂Cl₆ compared to similar Pd-NHC complexes makes the product a more sustainable choice.
A competitive price, with a higher Pd percentage than other Pd-NHC catalysts.

Pictograms

GHS07,GHS09

Signal Word

Warning

Hazard Codes

H302,H319,H411

Precautionary Statements

P264 - P273 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2

Storage Class

11 - Combustible Solids

Flash Point (°F)

Not applicable

Flash Point (°C)