| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
Tri(2-methylphenyl)phosphine does not have a defined pharmacological target. It is a chemical reagent used as a ligand in transition metal catalyzed reactions. It is utilized as a drug intermediate to form complexes with metal salts and serves as a phosphine catalyst in various organic transformations, including rhodium-catalyzed hydrogenation, Suzuki-Miyaura cross-coupling, and Heck reactions.
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|---|---|
| ln Vitro |
In vitro, Tri(2-methylphenyl)phosphine is primarily used as a chemical reagent and ligand. It is used in a ruthenium-catalyzed direct amination of alcohols and in combination with palladium salts in Heck-type coupling reactions of vinylic halides. As a phosphine ligand, it plays a crucial role in facilitating carbon-carbon bond formation in various cross-coupling reactions.
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| ln Vivo |
In vivo activity data for Tri(2-methylphenyl)phosphine itself are not available, as the compound is a chemical reagent and ligand used for in vitro 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, Tri(2-methylphenyl)phosphine is used as a ligand. Standard protocols involve combining the ligand with a metal precursor (e.g., Pd(OAc)₂, Rh(COD)₂BF₄) in an appropriate solvent to form the active catalyst. The catalyst is then used in reactions such as Heck coupling, Suzuki-Miyaura coupling, or hydrogenation. The steric bulk of the ligand influences the reactivity and selectivity of the metal center.
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| Cell Assay |
For in vitro cell-based experiments, Tri(2-methylphenyl)phosphine is not typically used directly in cell culture. It is a chemical reagent used for organic synthesis and catalysis. 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.
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| Animal Protocol |
In vivo animal studies for Tri(2-methylphenyl)phosphine are not applicable, as the compound is a ligand used for catalysis. No animal studies have been conducted for this compound as a therapeutic agent, and it is not intended for diagnostic or therapeutic use in animals or humans.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Tri(2-methylphenyl)phosphine are not available, as the compound is not a drug and is not administered to living organisms. The compound is a solid and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
Tri(2-methylphenyl)phosphine is a research chemical and should be handled with appropriate laboratory safety precautions. As a phosphine ligand, 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 |
Tri(2-methylphenyl)phosphine (CAS 6163-58-2) is primarily a research-grade chemical ligand, not an FDA-approved pharmaceutical drug. Its primary applications are as a sterically demanding phosphine ligand in transition metal-catalyzed reactions such as hydrogenation, Suzuki-Miyaura coupling, and Heck reactions, and as a drug intermediate for forming complexes with metal salts.
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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 # |
6163-58-2
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| PubChem CID |
80271
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| Appearance |
White to off-white solid powder
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| Boiling Point |
412.4±44.0 °C at 760 mmHg
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| Melting Point |
123-125 °C(lit.)
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| Flash Point |
214.6±34.7 °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 |
287
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| Defined Atom Stereocenter Count |
0
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| SMILES |
P(C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H])(C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]
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| InChi Key |
COIOYMYWGDAQPM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3
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| Chemical Name |
tris(2-methylphenyl)phosphane
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| Synonyms |
Tri-o-tolylphosphine; 6163-58-2; Tri(o-tolyl)phosphine; Tris(2-methylphenyl)phosphine; tris(2-methylphenyl)phosphane; Tris(o-tolyl)phosphine; TRI(2-METHYLPHENYL)PHOSPHINE; Phosphine, tris(2-methylphenyl)-;
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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 | 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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