| Size | Price | Stock | Qty |
|---|---|---|---|
| 500g |
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| Other Sizes |
| Targets |
Tributylmethylammonium chloride targets the synthesis of ε-caprolactone and 1-substituted tetrazoles as a catalyst. It acts as a phase transfer catalyst, facilitating the migration of a reactant from one phase into another phase where the reaction can take place. The compound is involved in the Baeyer-Villiger oxidation of cyclohexanone, helping in the synthesis of ε-caprolactone, a monomer used in the production of biodegradable polymers.
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|---|---|
| ln Vitro |
The in vitro activity of Tributylmethylammonium chloride is its function as a phase-transfer catalyst in organic synthesis. It facilitates the transfer of reactants between different phases, thereby enhancing the efficiency of reactions. The compound can be used as a phase transfer catalyst in the synthesis of ε-caprolactone by Baeyer-Villiger oxidation of cyclohexanone in the presence of KHSO₅ as an oxidizing agent. It enhances reaction rates by providing an optimal environment for reactants to interact.
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| ln Vivo |
No significant in vivo activity has been reported for Tributylmethylammonium chloride as a therapeutic agent. The compound is primarily utilized as a chemical catalyst and research reagent rather than a pharmacologically active compound.
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| Enzyme Assay |
In vitro assays for Tributylmethylammonium chloride are not typically performed in the context of enzyme or receptor binding. The compound is used in organic synthesis reactions where it serves as a phase-transfer catalyst to facilitate reactions between organic and aqueous phases.
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| Cell Assay |
For in vitro cellular experiments, Tributylmethylammonium chloride is not typically used in cell-based assays. The compound is primarily used as a chemical reagent in organic synthesis.
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| Animal Protocol |
In vivo animal experiments with Tributylmethylammonium chloride are not commonly performed, as the compound is primarily used as a chemical catalyst rather than a therapeutic candidate.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Tributylmethylammonium chloride have not been characterized, as it is a research-use chemical reagent rather than a drug candidate. The compound has a molecular weight of 235.84 g/mol and should be stored under appropriate conditions.
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| Toxicity/Toxicokinetics |
The compound can cause serious eye irritation and skin irritation, indicating its potential to disrupt cellular integrity and function. It has been reported to be toxic to aquatic life with long-lasting effects. It is intended for research use only and not for human therapeutic or diagnostic applications.
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| Additional Infomation |
Tributylmethylammonium chloride is a quaternary ammonium salt used as a phase-transfer catalyst in organic synthesis, particularly for the synthesis of ε-caprolactone and 1-substituted tetrazoles. The compound has no clinical or therapeutic applications and has not received regulatory approval for any medical indication.
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| Molecular Formula |
C13H30CLN
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|---|---|
| Molecular Weight |
235.84
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| Exact Mass |
235.206
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| CAS # |
56375-79-2
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| Related CAS # |
3085-79-8 (Parent)
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| PubChem CID |
91822
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| Appearance |
Colorless to light yellow liquid（Density：0.964 g/cm3）
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| Density |
0.964
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| Boiling Point |
152ºC
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| Melting Point |
95-99ºC
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| Flash Point |
84-85°C/101mm
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| Index of Refraction |
n20/D 1.4682
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| LogP |
0.837
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
15
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| Complexity |
98.6
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Cl-].[N+](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
IPILPUZVTYHGIL-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
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| Chemical Name |
tributyl(methyl)azanium;chloride
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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 | 4.2402 mL | 21.2008 mL | 42.4016 mL | |
| 5 mM | 0.8480 mL | 4.2402 mL | 8.4803 mL | |
| 10 mM | 0.4240 mL | 2.1201 mL | 4.2402 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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