Palladium(II) trifluoroacetate

Basic Information of Palladium(II) Trifluoroacetate

CAS No.	42196-31-6
EC No.	255-718-7
Chemical Formula	Pd(C₂F₃O₂)₂
Molecular Weight	332.44 g/mol
Appearance	Brown to dark brown crystalline powder
Odor	Odorless to slight acetic-like
Melting point	Decomposes before melting (>200 °C)
Boiling point	Not applicable (decomposes)
Density	approx. 2.1–2.3 g/cm³
Solubility	Soluble in acetone, acetonitrile, THF, dichloromethane; sparingly soluble in water
Nature (hazards)	Causes severe skin burns and eye damage, may cause allergic skin reaction, harmful if swallowed, toxic to aquatic life
RIDADR	UN 3260, Corrosive solid, acidic, inorganic, n.o.s. (Palladium(II) trifluoroacetate), Class 8, Packing Group III
Chemical Structure

Primary Applications of Palladium(II) Trifluoroacetate

Palladium(II) Trifluoroacetate is a powerful electrophilic Pd(II) source, excelling in challenging C–H functionalizations and oxidative processes where enhanced Lewis acidity is critical. The strongly electron-withdrawing trifluoroacetate ligands increase the electrophilic character of the palladium center, facilitating activation of otherwise inert C–H bonds. It is widely employed in systems described in palladium-mediated pharmaceutical and fine chemical synthesis, particularly for late-stage functionalization and oxidative coupling strategies.

1. C–H Activation & Functionalization
   Enables highly selective direct C–H arylation, acetoxylation, olefination, and amidation of arenes, heterocycles, and aliphatic C–H bonds, providing efficient routes to complex molecules with minimal prefunctionalization. The increased electrophilicity of Pd(II) promotes metalation steps and supports Pd(II)/Pd(IV) redox cycles in oxidative transformations.

2. Oxidative Couplings & Dehydrogenative Reactions
   Catalyzes oxidative C–C, C–N, and C–O bond formations using air or stoichiometric oxidants, delivering atom-economical access to biaryls, enones, and heterocycles in fine chemical synthesis. Trifluoroacetate ligands can stabilize high-valent palladium intermediates during catalytic turnover.

3. Allylic & Vinylic Functionalization
   Promotes regioselective allylic oxidation, acetoxylation, and amination, offering superior control in the synthesis of natural products and pharmaceutical intermediates. Ligand effects influence regioselectivity and reaction kinetics.

4. Pharmaceutical & Natural Product Synthesis
   Widely applied in late-stage functionalization and key steps of complex API and natural product total synthesis, leveraging its high reactivity and functional group tolerance. The absence of strongly coordinating halides simplifies downstream purification.

5. Catalyst Development & Mechanistic Studies
   Serves as a standard electrophilic Pd(II) source for ligand screening, kinetic studies, and development of novel Pd-catalyzed oxidative systems in academic and industrial R&D. Its defined coordination environment allows systematic evaluation of reaction pathways.

6. Materials & Polymer Chemistry
   Facilitates Pd-catalyzed modifications of polymers, aromatic frameworks, and functional materials requiring enhanced electrophilicity for selective transformations. Controlled C–H activation enables functionalization of complex substrates.

For a comprehensive overview of palladium material categories—including salts, oxides, supported catalysts, and organometallic systems across industrial sectors—refer to Palladium Compounds: Applications, Categories & Industrial Uses.

• Superior Purity & Batch Consistency
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  Experienced catalysis team provides reaction optimization, oxidant/ligand synergy advice, scale-up guidance, and troubleshooting for maximum efficiency.

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Hazards Classification

• GHS Classification: Skin Corrosion/Irritation (Category 1B); Serious Eye Damage (Category 1); Skin Sensitization (Category 1); Acute Toxicity, Oral (Category 4); Aquatic Chronic (Category 2)

• Hazard Statements: H314: Causes severe skin burns and eye damage; H317: May cause an allergic skin reaction; H302: Harmful if swallowed; H411: Toxic to aquatic life with long lasting effects

• UN Number: UN 3260

• Hazard Class: 8 (Corrosive substances)

• Packing Group: III