| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
(2-Bromophenyl)boronic acid does not have a defined pharmacological target. It is a chemical reagent used in organic synthesis. It is used to encourage the catalytic amidation of amines and carboxylic acids in more environmentally suitable proportions. This technique avoids the need for pre-activation of carboxylic acids or the use of coupling agents.
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| ln Vitro |
2-Bromobenzene boronic acid is used to encourage the catalytic amidation of amines and carboxylic acids in more environmentally suitable proportions. With this method, there is no need to employ coupling agents or preactivate carboxylic acids.
In vitro, (2-bromophenyl)boronic acid is used as a biochemical reagent and synthetic intermediate. It is used to promote the catalytic amidation of amines and carboxylic acids. As a boronic acid, it is a building block for Suzuki-Miyaura cross-coupling reactions and other organic transformations. |
| ln Vivo |
In vivo activity data for (2-bromophenyl)boronic acid itself are not available, as the compound is a chemical reagent 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 chemical synthesis, (2-bromophenyl)boronic acid is used as a reagent in Suzuki-Miyaura cross-coupling reactions and amidation reactions. Standard protocols for amidation involve reacting the boronic acid with a carboxylic acid and an amine in the presence of a catalyst. The boronic acid promotes the formation of the amide bond without the need for pre-activation. For Suzuki coupling, it is reacted with an aryl halide in the presence of a palladium catalyst and a base.
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| Cell Assay |
For in vitro cell-based experiments, (2-bromophenyl)boronic acid is not typically used directly in cell culture. It is a chemical reagent used for organic synthesis. The compound may be used in the synthesis of compounds that are subsequently tested in cell-based assays.
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| Animal Protocol |
In vivo animal studies for (2-bromophenyl)boronic acid are not applicable, as the compound is a chemical reagent used for synthesis. No animal studies have been conducted for this compound as a therapeutic agent.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (2-bromophenyl)boronic acid 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 |
(2-Bromophenyl)boronic 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.
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| Additional Infomation |
(2-Bromophenyl)boronic acid (CAS 244205-40-1) is primarily a research-grade chemical intermediate and biochemical reagent, not an FDA-approved pharmaceutical drug. Its primary applications are in Suzuki-Miyaura cross-coupling reactions and as a catalyst for the amidation of amines and carboxylic acids.
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| Molecular Formula |
C6H6BBRO2
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|---|---|
| Molecular Weight |
200.83
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| Exact Mass |
199.964
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| CAS # |
244205-40-1
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| PubChem CID |
2773294
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| Appearance |
White to off-white solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
329.2±44.0 °C at 760 mmHg
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| Melting Point |
113 °C(lit.)
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| Flash Point |
152.9±28.4 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.598
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| LogP |
2.36
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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 |
1
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| Heavy Atom Count |
10
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| Complexity |
110
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=CC(=C1B(O)O)Br
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| InChi Key |
PLVCYMZAEQRYHJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6BBrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
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| Chemical Name |
(2-bromophenyl)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 | 4.9793 mL | 24.8967 mL | 49.7934 mL | |
| 5 mM | 0.9959 mL | 4.9793 mL | 9.9587 mL | |
| 10 mM | 0.4979 mL | 2.4897 mL | 4.9793 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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