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Merck
CN

900285

MCAT-53™

greener alternative

Synonym(s):

Ru2Cl2(p-cymene) (HCOO)2 • HCOONa, Ru2Cl2(p-cymene) (HCOO)3Na, Sodium η-6-p-cymene dichloro diruthenium (II, III) triformato complex

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About This Item

Empirical Formula (Hill Notation):
C13H17Cl2NaO6Ru2
Molecular Weight:
565.31
UNSPSC Code:
12161600
PubChem Substance ID:
329769798
NACRES:
NA.22

Key Documents

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SMILES string

C[Ru]OC([H])=O.[Ru]OC([H])=O.ClC.CC.CC1=CC=C(C(C)C)C=C1.COC([H])=O.Cl.[Na]

InChI

1S/C10H14.3CH2O2.2ClH.Na.2Ru.H/c1-8(2)10-6-4-9(3)5-7-10;3*2-1-3;;;;;;/h4-8H,1-3H3;3*1H,(H,2,3);2*1H;;;;/q;;;;;;;+2;+3;/p-5

InChI key

QVXXTDGUSONXKR-UHFFFAOYSA-I

form

powder

reaction suitability

core: ruthenium, reaction type: Cross Couplings, reagent type: catalyst
reaction type: C-H Activation

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Designing Safer Chemicals
Catalysis
Inherently Safer Chemistry for Accident Prevention
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

mp

247.8 °C

greener alternative category

, Aligned

storage temp.

2-8°C

General description

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

Application

MCAT-53 is a recyclable ruthenium-containing catalyst for C–C coupling reactions in aqueous conditions. In contrast to Pd-catalyzed reactions, MCAT-53 achieves C–H-activated C–C coupling in water under ligand-free conditions, requiring no co-solvent, surfactant, or additional steps for activation. Bench- and air-stable, MCAT-53 will find wide utility in cost-effective and greener alternatives in pharmaceutical and manufacturing processes. This water-friendly catalyst is offered in collaboration with Chicago Discovery Solutions.
The catalyst has been successfully employed to synthesize a key intermediate of anacetrapib as a single regioisomer.

Other Notes

Arene Ruthenium Catalyst MCAT-53 for the Synthesis of Hetero-biaryl Compounds in Water through Aromatic C-H bond Activation

MCAT-53™: A Green Ruthenium Catalyst for Cross-Coupling & C–H Activation

Legal Information

MCAT-53 is a trademark of Chicago Discovery Solutions LLC

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
MKBZ5485V

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Ruthenium (II)-catalyzed C-H bond activation and functionalization.
Arockiam PB, et al.
Chemical Reviews, 112(11), 5879-5918 (2012)
Palladium (II)-catalyzed C- H activation/C-C cross-coupling reactions: versatility and practicality.
Chen X, et al.
Angewandte Chemie (International Edition in English), 48(28), 5094-5115 (2009)
Key green chemistry research areas-a perspective from pharmaceutical manufacturers.
Constable DJ, et al.
Green Chemistry, 9(5), 411-420 (2017)
Arene Ruthenium Catalyst MCAT-53 for the Synthesis of Hetero-biaryl Compounds in Water through Aromatic C-H bond Activation.
Mehta A, et al.
Organic Process Research & Development, 22(9), 1119-1130 (2018)
Greener solvents for ruthenium and palladium-catalysed aromatic C-H bond functionalisation.
Fischmeister C & Doucet H.
Green Chemistry, 13(4), 741-753 (2011)

Articles

MCAT- 53™ Catalyst for Ruthenium Formation

A recyclable, ligand-free ruthenium catalyst for C–H activation reactions and concomitant C–C bond formation in the presence of water.

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