| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
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| Other Sizes |
| Targets |
This palladium catalyst does not target biological receptors. Its substrates are organic molecules, particularly aryl halides and alkenes. The compound serves as an effective precatalyst or precursor to the active Pd(0) catalyst. It is used in various cross-coupling reactions including Buchwald-Hartwig, Heck, Hiyama, Negishi, Sonogashira, Stille, and Suzuki-Miyaura couplings. The dba ligands are relatively labile and readily displaced to generate the active Pd(0) species.
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|---|---|
| ln Vitro |
In vitro activity is demonstrated in a wide range of palladium-catalyzed reactions. It is used to compose catalytic systems for the preparation of homoallylpalladium complexes. It serves as a palladium source in asymmetric transformations and as a catalyst for Heck cross-coupling reactions, [2+2+2] cycloadditions, and carbonylation reactions. The catalyst achieves good yields with various substrates under appropriate conditions. Its versatility makes it a valuable tool in organic synthesis.
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| ln Vivo |
In vivo activity is not applicable. This compound is a chemical catalyst used in organic synthesis, not a therapeutic agent. Its performance is evaluated in reaction flasks rather than living systems. The catalyst's stability and effectiveness in various cross-coupling reactions make it a valuable tool in synthetic chemistry for the construction of complex organic molecules.
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| Enzyme Assay |
The in vitro enzyme/receptor binding assay is not applicable. A typical protocol for evaluating this catalyst involves: (1) dissolving the precatalyst (1-5 mol%) in anhydrous solvent (toluene, THF, or dioxane); (2) adding substrates and base if needed; (3) heating the mixture at appropriate temperature under inert atmosphere; (4) monitoring reaction progress by TLC or GC; (5) purifying the product by column chromatography; and (6) characterizing products by NMR and mass spectrometry. The dba ligands are displaced under reaction conditions to generate the active catalyst.
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| Cell Assay |
The in vitro cellular assay is not applicable. This catalyst is not used in biological systems. It is strictly a research chemical for organic synthesis. Cell-based studies are not performed with this compound. Researchers should handle it in a fume hood with appropriate PPE. It is not intended for diagnostic or therapeutic purposes. If accidental exposure occurs, follow standard chemical safety protocols.
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| Animal Protocol |
In vivo animal experiments are not applicable. This compound is not a drug candidate. It is used exclusively as a catalyst in chemical reactions. No pharmacokinetic or toxicological studies in animals are conducted for this material. Researchers should dispose of waste according to institutional guidelines. Any incidental exposure should be treated with standard first-aid measures for chemical contact.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable. This catalyst is not administered systemically. In synthetic applications, it is used at low loadings (1-5 mol%) and is typically removed during purification. The compound has a melting point of 131-135°C and is classified as a combustible solid. It should be stored appropriately. Palladium residues in products are removed by standard purification techniques such as column chromatography or treatment with scavengers.
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| Toxicity/Toxicokinetics |
The toxicity profile is relevant to occupational exposure. This compound contains palladium and may release toxic fumes upon decomposition. Hazard classifications include Acute Tox. 4 Oral, Carc. 2, and Skin Irrit. 2. It is classified as a combustible solid (Storage Class 11). Use in a fume hood with appropriate PPE including dust mask type N95, eyeshields, and gloves. It is for research use only and is not intended for human consumption.
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| Additional Infomation |
This compound is known as Pd₂(dba)₃·CHCl₃ or tris(dibenzylideneacetone)dipalladium(0)-chloroform adduct. It is a commonly used palladium(0) source in organic synthesis. The product is a yellow crystalline solid soluble in organic solvents such as chloroform. It is used as a precatalyst in various cross-coupling reactions. This product is not a drug and has no clinical trial or regulatory approval status. It is sold exclusively for research and development purposes.
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| Molecular Formula |
C52H43CL3O3PD2
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|---|---|
| Molecular Weight |
1035.099
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| Exact Mass |
1034.035
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| CAS # |
52522-40-4
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| PubChem CID |
11029508
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| Appearance |
Black purple powder
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| Boiling Point |
400.7ºC at 760mmHg
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| Melting Point |
131-135ºC
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| Flash Point |
176.2ºC
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| LogP |
13.933
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
60
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| Complexity |
280
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C(Cl)(Cl)Cl.[Pd].[Pd]
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| InChi Key |
LNAMMBFJMYMQTO-FNEBRGMMSA-N
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| InChi Code |
InChI=1S/3C17H14O.CHCl3.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h3*1-14H;1H;;/b3*13-11+,14-12+;;;
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| Chemical Name |
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
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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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 0.9661 mL | 4.8305 mL | 9.6609 mL | |
| 5 mM | 0.1932 mL | 0.9661 mL | 1.9322 mL | |
| 10 mM | 0.0966 mL | 0.4830 mL | 0.9661 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.
Products are for research use only; We do not sell to patients
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