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| Other Sizes |
| Targets |
2,6-Diisopropylaniline does not have a defined pharmacological target of its own, as it is a synthetic intermediate. It is used as a precursor for the synthesis of sterically hindered ligands, such as N-heterocyclic carbenes (NHCs) and phosphines, which are used as catalysts in organic synthesis. The compound's bulky isopropyl groups provide steric protection in catalytic applications.
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| ln Vitro |
2,6-Diisopropylaniline serves as an intermediary in the synthesis of synthetic resins, antioxidants, carbodiimide stabilizers, and active medicinal compounds. Additionally, it is employed in the synthesis of 4,5-b is(2,6-diisopropylanilino)-2,7-di-tert-butyl-9,9-dimethylthioxanthene and multi-theme Schiff base ligand precursors. The product of condensation between triacetylmethane and pentane-2,4-dione is -[1-(2,6-diisopropylphenylamino)ethylene]. Furthermore, it is employed in the preparation of N-heterocyclic carbene complexes for aqueous Suzuki coupling, α-arylation of acyclic ketones, and amination of halogenated aromatics. Furthermore, it is employed in the synthesis of organocatalysts based on naphthalenedimide.
In vitro, 2,6-diisopropylaniline is primarily used as a chemical reagent and synthetic intermediate. It is a precursor for the synthesis of sterically hindered ligands, such as NHCs and phosphines, which are used as catalysts in various organic transformations. As a sterically hindered aniline, it is a valuable building block in organometallic chemistry. |
| ln Vivo |
In vivo activity data for 2,6-diisopropylaniline itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of catalysts and ligands that are used in chemical synthesis, not as therapeutic agents.
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| Enzyme Assay |
For in vitro chemical synthesis, 2,6-diisopropylaniline is used as a precursor for the synthesis of NHCs and other sterically hindered ligands. Standard protocols involve reacting the aniline with appropriate reagents to form imines, which are then converted to carbenes or phosphines. The compound's bulky isopropyl groups provide steric protection in catalytic applications.
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| Cell Assay |
For in vitro cell-based experiments, 2,6-diisopropylaniline is not typically used directly in cell culture. It is a chemical intermediate used for the synthesis of ligands and catalysts. 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 2,6-diisopropylaniline are not applicable, as the compound is a chemical intermediate used for the synthesis of catalysts and ligands. No animal studies have been conducted for this compound as a therapeutic agent.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2,6-diisopropylaniline as a standalone compound are not characterized in the literature. The compound has a molecular weight of 177.29 g/mol, which is within the favorable range for oral bioavailability. The isopropyl groups may influence lipophilicity and metabolic stability.
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| Toxicity/Toxicokinetics |
2,6-Diisopropylaniline is a research chemical and should be handled with appropriate laboratory safety precautions. As an aniline derivative, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values and acute toxicity classifications are not available.
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| Additional Infomation |
2,6-Diisopropylaniline (CAS 24544-04-5) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a precursor for the synthesis of sterically hindered ligands (NHCs, phosphines) for catalysis. No clinical trials or approved therapeutic indications exist.
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| Molecular Formula |
C12H19N
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|---|---|
| Molecular Weight |
177.29
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| Exact Mass |
177.151
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| CAS # |
24544-04-5
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| PubChem CID |
32484
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| Appearance |
Liquid（Density：0.94 g/cm3）
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
257.3±9.0 °C at 760 mmHg
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| Melting Point |
-45 °C
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| Flash Point |
123.9±0.0 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.526
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| LogP |
3.61
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
13
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| Complexity |
135
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N([H])([H])C1C(=C([H])C([H])=C([H])C=1C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
WKBALTUBRZPIPZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3
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| Chemical Name |
2,6-di(propan-2-yl)aniline
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.6405 mL | 28.2024 mL | 56.4048 mL | |
| 5 mM | 1.1281 mL | 5.6405 mL | 11.2810 mL | |
| 10 mM | 0.5640 mL | 2.8202 mL | 5.6405 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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