| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
4-tert-Butylphenylboronic acid is used as a cross-coupling building block in the synthesis of various organic compounds. It doesn't have a specific biological target but plays a crucial role in facilitating chemical reactions. The compound can influence cell function by facilitating the formation of carbon-carbon bonds, which are fundamental to many biological processes. It is used for glycoprotein analysis and carbohydrate research.
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| ln Vitro |
In vitro, 4-tert-butylphenylboronic acid is primarily used as a chemical reagent and synthetic intermediate. It is used for the detection and quantification of saccharides through its ability to form reversible complexes with diols. The compound is a key reagent in Suzuki-Miyaura cross-coupling reactions, allowing chemists to create complex organic molecules efficiently. It is also used in glycoprotein analysis and carbohydrate research.
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| ln Vivo |
In vivo data for 4-tert-butylphenylboronic acid as a therapeutic agent are not available, as the compound is a chemical reagent used primarily for in vitro applications. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile. The compound is not designed for therapeutic use.
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| Enzyme Assay |
For in vitro chemical synthesis, 4-tert-butylphenylboronic acid is used as a reagent in Suzuki-Miyaura cross-coupling reactions. Standard protocols involve reacting the boronic acid with an aryl halide in the presence of a palladium catalyst and a base in an appropriate solvent at elevated temperatures. The compound's tert-butyl group provides steric bulk that can influence reaction selectivity and product properties.
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| Cell Assay |
For in vitro cell-based experiments, 4-tert-butylphenylboronic acid is not typically used directly in cell culture. It is a chemical reagent used for organic synthesis and saccharide detection. 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 4-tert-butylphenylboronic acid are not applicable, as the compound is a chemical reagent used for in vitro applications. 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 4-tert-butylphenylboronic acid are not available, as the compound is not a drug and is not administered to living organisms. The compound has a molecular weight of 178.04 g/mol. As a boronic acid, it may be subject to metabolic oxidation. The tert-butyl group may influence lipophilicity and metabolic stability. The compound is primarily used as a reagent rather than as a drug candidate.
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| Toxicity/Toxicokinetics |
4-tert-Butylphenylboronic acid is a research chemical and should be handled with appropriate laboratory safety precautions. As a boronic acid 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, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
4-tert-Butylphenylboronic acid (CAS 123324-71-0) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a reagent in Suzuki-Miyaura cross-coupling reactions, for the detection and quantification of saccharides via diol complexation, and in glycoprotein analysis and carbohydrate research. No clinical trials or approved therapeutic indications exist.
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| Molecular Formula |
C10H15BO2
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|---|---|
| Molecular Weight |
178.04
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| Exact Mass |
178.116
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| CAS # |
123324-71-0
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| PubChem CID |
2734320
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
296.7±33.0 °C at 760 mmHg
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| Melting Point |
191-196 °C(lit.)
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| Flash Point |
133.2±25.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.511
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| LogP |
3.28
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
13
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| Complexity |
155
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])B(C1C([H])=C([H])C(=C([H])C=1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])O[H]
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| InChi Key |
MNJYZNVROSZZQC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H15BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7,12-13H,1-3H3
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| Chemical Name |
(4-tert-butylphenyl)boronic acid
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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 | 5.6167 mL | 28.0836 mL | 56.1672 mL | |
| 5 mM | 1.1233 mL | 5.6167 mL | 11.2334 mL | |
| 10 mM | 0.5617 mL | 2.8084 mL | 5.6167 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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