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| Targets |
No specific biological target is associated with dichlorobis(tricyclohexylphosphine)palladium(II), as it functions primarily as a catalyst in chemical synthesis rather than as a direct pharmacological agent. However, the compound's palladium center can coordinate with various ligands, potentially interacting with biological molecules containing electron-donating groups. In the context of catalysis, the compound facilitates carbon-carbon and carbon-heteroatom bond formation, enabling the synthesis of complex organic molecules with high precision. The compound's bulky tricyclohexylphosphine ligands provide steric hindrance that enhances the selectivity and activity of the palladium catalyst in cross-coupling reactions. Its role in pharmaceutical research involves the synthesis of drug candidates and intermediates, but the compound itself is not a therapeutic agent.
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| ln Vitro |
utilized as a catalyst in the coupling reactions of CC and CN. Regarding the uniform carbonylation of chloroarenes in mild circumstances.
In vitro, dichlorobis(tricyclohexylphosphine)palladium(II) is widely used as a catalyst precursor in various carbon-carbon and carbon-heteroatom bond forming reactions. It is employed in Suzuki coupling reactions for the formation of biaryl compounds, Heck reactions, and Stille reactions. The compound serves as a catalyst for C-C and C-N coupling reactions. In pharmaceutical research, it is used for the synthesis of complex organic molecules and drug intermediates. In material chemistry, it is utilized for the development of biaryl compounds and conjugated polymers. The compound's effectiveness as a catalyst enables the synthesis of complex organic molecules with high precision. Its bulky tricyclohexylphosphine ligands contribute to the catalyst's stability and selectivity in various reactions. |
| ln Vivo |
In vivo studies are not performed with dichlorobis(tricyclohexylphosphine)palladium(II), as it is a catalyst rather than a pharmacological agent. The compound is not intended for administration to living organisms. Palladium compounds can have toxic effects in vivo, and exposure to palladium complexes may cause allergic reactions and other adverse effects. The compound's use as a catalyst in pharmaceutical synthesis means that it may be present as an impurity in drug products, but comprehensive in vivo studies on the parent compound are not documented. The compound is not intended for therapeutic use and is handled as a chemical reagent in laboratory settings.
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| Enzyme Assay |
Cell-free assays for dichlorobis(tricyclohexylphosphine)palladium(II) involve standard catalytic reaction protocols. For Suzuki coupling reactions, the compound (2-5 mol%) is mixed with an aryl halide, a boronic acid (1.2 equivalents), a base (e.g., K2CO3 or Cs2CO3), and a solvent (e.g., toluene, dioxane, or DMF) at elevated temperatures (80-120°C) under an inert atmosphere for 12-24 hours. The reaction progress is monitored by TLC, GC, or HPLC, and the products are purified by column chromatography. For Heck and Stille reactions, similar protocols are used with appropriate coupling partners. The compound's catalytic activity can be assessed by reaction yield, selectivity, and turnover number. Its effectiveness in C-N coupling reactions has also been demonstrated.
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| Cell Assay |
Cellular assays are not performed with dichlorobis(tricyclohexylphosphine)palladium(II) due to its role as a catalyst. The compound is not used as a test article in cell-based experiments because of its potential toxicity and its role as a chemical reagent rather than a bioactive compound. Palladium compounds can be cytotoxic and may cause DNA damage, oxidative stress, and other cellular effects. However, these effects are generally considered adverse rather than therapeutic. The compound is used in the synthesis of drug candidates that are subsequently tested in cellular assays, but the parent compound itself is not used in cellular experiments.
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| Animal Protocol |
Animal studies are not conducted with dichlorobis(tricyclohexylphosphine)palladium(II). The compound is a chemical reagent and is not intended for administration to animals. Toxicity and pharmacological profiles for the parent compound are inferred from related palladium compounds. Palladium complexes are known to cause allergic reactions, skin sensitization, and other toxic effects in animals. Occupational exposure to palladium compounds may occur in industrial settings, but comprehensive toxicological evaluation in animals has not been performed for this specific compound. The compound is not administered to animals in research settings.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for dichlorobis(tricyclohexylphosphine)palladium(II) are not available, as the compound is primarily a chemical reagent rather than a drug candidate. With a molecular weight of 738.19 g/mol, the compound is a large molecule that would be expected to have very limited membrane permeability and oral bioavailability if administered. The compound's bulky ligands and metal center would likely prevent significant absorption. Comprehensive pharmacokinetic studies including absorption, distribution, metabolism, and excretion have not been performed, as the compound is not intended for therapeutic use. For research purposes, the compound is typically handled as a neat chemical and not administered to living organisms for pharmacokinetic profiling. Palladium complexes are generally considered to have low bioavailability.
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| Toxicity/Toxicokinetics |
Toxicological data for dichlorobis(tricyclohexylphosphine)palladium(II) are limited. The compound is a palladium complex and may cause skin and eye irritation upon contact. Palladium compounds are known to cause allergic reactions, skin sensitization, and respiratory irritation. Appropriate safety precautions should be taken when handling the compound, including the use of personal protective equipment such as gloves, safety goggles, and protective clothing. The compound should be handled in a well-ventilated area, and contact with skin and eyes should be avoided. In case of exposure, affected areas should be rinsed thoroughly with water, and medical attention should be sought if necessary. The compound should be stored under inert atmosphere to prevent degradation. The compound is for research use only and not for human use.
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| Additional Infomation |
Dichlorobis(tricyclohexylphosphine)palladium(II) is a research chemical, not an approved drug. It has no clinical trial or marketing approval status for therapeutic use. The compound is a palladium coordination complex widely employed as a catalyst precursor in various carbon-carbon and carbon-heteroatom bond forming reactions. It is recognized for its effectiveness as a catalyst in cross-coupling reactions, including Suzuki coupling, Heck reaction, and Stille reaction. The catalyst plays a crucial role in material chemistry, pharmaceutical research, and fine chemical production, especially for developing biaryl compounds and conjugated polymers. The compound has a purity of ≥95% and a molecular weight of 738.19 g/mol. It is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.
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| Molecular Formula |
C36H66CL2P2PD
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| Molecular Weight |
738.18
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| Exact Mass |
736.305
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| CAS # |
29934-17-6
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| PubChem CID |
11050900
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| Appearance |
Light yellow to yellow solid powder
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| Boiling Point |
383.4ºC at 760 mmHg
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| Melting Point |
270ºC (dec.)
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| Flash Point |
195.6ºC
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| Vapour Pressure |
9.7E-06mmHg at 25°C
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| LogP |
14.311
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
0
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
41
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| Complexity |
204
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Pd](Cl)Cl.P(C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])(C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H].P(C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])(C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]
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| InChi Key |
VUYVXCJTTQJVKJ-UHFFFAOYSA-L
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| InChi Code |
InChI=1S/2C18H33P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*16-18H,1-15H2;2*1H;/q;;;;+2/p-2
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| Chemical Name |
dichloropalladium;tricyclohexylphosphane
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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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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) |
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 | 1.3547 mL | 6.7734 mL | 13.5468 mL | |
| 5 mM | 0.2709 mL | 1.3547 mL | 2.7094 mL | |
| 10 mM | 0.1355 mL | 0.6773 mL | 1.3547 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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