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|---|---|---|
| Other Sizes |
| Targets |
Palladium trifluoroacetate does not have a defined pharmacological target. It is a palladium catalyst used in organic synthesis. Its mechanism of action is catalytic: the Pd(II) center participates in various catalytic cycles, including oxidative addition, transmetalation, and reductive elimination, enabling C-C bond formation and other transformations.
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|---|---|
| ln Vitro |
In vitro, palladium trifluoroacetate is used as a catalyst in Suzuki-Miyaura, Heck, and Stille cross-coupling reactions. It is used in the mild decarboxylation of electron-rich aromatic acids and the direct cross-coupling of unactivated arenes. It is also used in the preparation of allyl-palladium complexes and in the selective allylic oxidation of olefins.
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| ln Vivo |
In vivo activity data for palladium trifluoroacetate are not available, as the compound is a catalyst used for in vitro organic synthesis. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile.
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| Enzyme Assay |
For in vitro catalytic reactions, palladium trifluoroacetate is used as a catalyst. Standard protocols involve adding the compound to reaction mixtures at catalytic amounts (typically 1-10 mol%) in an appropriate solvent under controlled temperature and atmosphere. The compound's catalytic activity is evaluated by monitoring reaction progress by TLC or HPLC and isolating the product.
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| Cell Assay |
For in vitro cell-based experiments, palladium trifluoroacetate is not typically used directly in cell culture. It is a chemical reagent used for organic synthesis. The compound may be used in the synthesis of compounds that are subsequently tested in cell-based assays, but it is not added directly to cell cultures as a test compound due to potential toxicity from residual palladium.
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| Animal Protocol |
In vivo animal studies for palladium trifluoroacetate are not applicable, as the compound is a catalyst used for organic synthesis. No animal studies have been conducted for this compound as a therapeutic agent.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for palladium trifluoroacetate are not available, as the compound is not a drug and is not administered to living organisms. The compound has a melting point of 210 °C (dec). It is a catalyst used in organic synthesis, not a drug candidate.
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| Toxicity/Toxicokinetics |
Palladium trifluoroacetate is a research chemical and should be handled with appropriate laboratory safety precautions. As a metal-containing compound, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications.
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| Additional Infomation |
Palladium trifluoroacetate (CAS 42196-31-6) is primarily a research-grade catalyst, not an FDA-approved pharmaceutical drug. Its primary applications are as a catalyst for Suzuki-Miyaura, Heck, and Stille cross-coupling reactions, for the mild decarboxylation of aromatic acids, and for the direct cross-coupling of unactivated arenes.
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| Molecular Formula |
[C2F3O2]2PD+
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|---|---|
| Molecular Weight |
332.45
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| Exact Mass |
331.873
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| CAS # |
42196-31-6
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| PubChem CID |
2733347
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| Appearance |
Light brown to gray solid powder
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| Boiling Point |
72.2ºCat 760 mmHg
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| Melting Point |
~220 °C
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| LogP |
1.112
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
15
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| Complexity |
77.9
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Pd+2]
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| InChi Key |
PBDBXAQKXCXZCJ-UHFFFAOYSA-L
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| InChi Code |
InChI=1S/2C2HF3O2.Pd/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
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| Chemical Name |
palladium(2+);2,2,2-trifluoroacetate
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: 50 mg/mL (150.40 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0080 mL | 15.0399 mL | 30.0797 mL | |
| 5 mM | 0.6016 mL | 3.0080 mL | 6.0159 mL | |
| 10 mM | 0.3008 mL | 1.5040 mL | 3.0080 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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