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|---|---|---|
| Other Sizes |
| Targets |
Tri-p-tolylphosphine does not have a defined biological target as a therapeutic agent. It is an organophosphorus compound used as a ligand in organic synthesis and as a research reagent. The compound is not intended to exert pharmacological effects. Its utility lies in its chemical properties as a ligand for transition metal catalysts in cross-coupling reactions.
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| ln Vitro |
Phosphosphine tris(p-tolyl) is a pharmaceutical intermediate.
Specific in vitro activity data for Tri-p-tolylphosphine as a pharmacological agent are not documented in the literature. It is primarily used as a chemical reagent and ligand in organic synthesis. The compound is not characterized for direct biological activities such as enzyme inhibition or receptor modulation. Its effects in biological systems, if any, would be related to its potential toxicity as an organophosphorus compound. |
| ln Vivo |
Tri-p-tolylphosphine is not used for in vivo pharmacological activity assessment as a drug compound. Its primary applications are as a chemical reagent and ligand in organic synthesis. The compound is not intended to be administered to animals for pharmacological studies. Its use is limited to chemical synthesis in laboratory settings.
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| Enzyme Assay |
Tri-p-tolylphosphine is not typically used in enzyme/receptor binding assays. Its primary applications are as a ligand in cross-coupling reactions, including Buchwald-Hartwig, Heck, and Suzuki-Miyaura coupling reactions. When used in research, it serves as a ligand for palladium-catalyzed reactions. Standard synthetic chemistry protocols are employed for its use.
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| Cell Assay |
Tri-p-tolylphosphine is not used in cell-based assays as a test compound. Its primary applications are as a chemical reagent and ligand in organic synthesis. The compound is not characterized for direct cellular effects. Its potential toxicity is a concern in laboratory settings, but it is not evaluated for pharmacological effects.
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| Animal Protocol |
Tri-p-tolylphosphine is not used in animal studies as a pharmacological agent. Its primary applications are as a chemical reagent and ligand in organic synthesis. The compound is not intended to be administered to animals for efficacy evaluations. Its use is limited to chemical synthesis in laboratory settings.
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| ADME/Pharmacokinetics |
Tri-p-tolylphosphine has a molecular weight of 304.37 g/mol and a molecular formula of C₂₁H₂₁P. It is also known as Tris(4-methylphenyl)phosphine and Phosphine, tri-p-tolyl-. The compound has a melting point of 144-148°C. It is used as a ligand in cross-coupling reactions. It is typically stored under standard laboratory conditions.
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| Toxicity/Toxicokinetics |
Tri-p-tolylphosphine is intended for research use only and is not approved for human therapeutic applications. As an organophosphorus compound, it may be toxic and should be handled with care. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
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| Additional Infomation |
Tri-p-tolylphosphine (CAS#: 1038-95-5) has a molecular formula of C₂₁H₂₁P and a molecular weight of 304.37 g/mol. It is also known as Tris(4-methylphenyl)phosphine. The compound is a crystalline organophosphorus compound used as a ligand in cross-coupling reactions including Buchwald-Hartwig, Heck, and Suzuki-Miyaura reactions. This compound is not a drug and has not undergone clinical trials.
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| Molecular Formula |
C21H21P
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|---|---|
| Molecular Weight |
304.37
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| Exact Mass |
304.138
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| CAS # |
1038-95-5
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| PubChem CID |
13956
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| Appearance |
White to off-white solid powder
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| Boiling Point |
399.8±41.0 °C at 760 mmHg
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| Melting Point |
144-148 °C(lit.)
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| Flash Point |
206.3±33.9 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| LogP |
7.07
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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 |
3
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| Heavy Atom Count |
22
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| Complexity |
263
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| Defined Atom Stereocenter Count |
0
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| SMILES |
P(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H]
|
| InChi Key |
WXAZIUYTQHYBFW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H21P/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
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| Chemical Name |
tris(4-methylphenyl)phosphane
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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 (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 | 3.2855 mL | 16.4274 mL | 32.8547 mL | |
| 5 mM | 0.6571 mL | 3.2855 mL | 6.5709 mL | |
| 10 mM | 0.3285 mL | 1.6427 mL | 3.2855 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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