| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
2-Methoxyphenylboronic acid does not have a defined pharmacological target of its own, as it is a synthetic intermediate. It is used as a key reagent in Suzuki-Miyaura cross-coupling reactions for the construction of biaryl frameworks in pharmaceuticals. The compound is also listed in drug-related molecule interaction databases.
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|---|---|
| ln Vitro |
In vitro, 2-methoxyphenylboronic acid is primarily used as a chemical reagent for organic synthesis. It serves as a key reagent in Suzuki-Miyaura cross-coupling reactions, allowing for the formation of carbon-carbon bonds. The compound is used in the synthesis of various pharmaceutical compounds that are subsequently tested in in vitro assays. As an ortho-methoxy-substituted arylboronic acid, it is a common building block for the construction of biaryl frameworks.
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| ln Vivo |
In vivo activity data for 2-methoxyphenylboronic acid as a therapeutic agent are not available, as the compound is a synthetic intermediate rather than a directly administered drug. The compound's in vivo relevance is indirect, through the biological activities of the final pharmaceutical compounds derived from it. The compound is primarily used as a reagent rather than as a drug candidate.
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| Enzyme Assay |
For in vitro chemical synthesis, 2-methoxyphenylboronic acid is used as a key 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 (e.g., Pd(PPh₃)₄) and a base (e.g., K₂CO₃) in an appropriate solvent (e.g., toluene, DMF) at elevated temperatures (80-100°C) for several hours. The reaction progress is monitored by TLC or HPLC.
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| Cell Assay |
For in vitro cell-based experiments, 2-methoxyphenylboronic acid is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations.
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| Animal Protocol |
In vivo animal studies using 2-methoxyphenylboronic acid are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For pharmaceutical candidates derived from this building block, efficacy studies would typically be performed in mouse models of the relevant disease. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with appropriate pharmacokinetic and pharmacodynamic endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2-methoxyphenylboronic acid as a standalone compound are not characterized in the literature. The compound has a molecular weight of 151.96 g/mol, which is within the favorable range for oral bioavailability. As a boronic acid, it may be subject to metabolic oxidation. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
2-Methoxyphenylboronic 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 should be stored under appropriate conditions. 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.
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| Additional Infomation |
2-Methoxyphenylboronic acid (o-Anisylboronic acid, CAS 5720-06-9) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a key organoboron reagent for Suzuki-Miyaura cross-coupling reactions for the construction of biaryl frameworks in pharmaceuticals, agrochemicals, and functional materials. The compound is widely used in medical, environmental, and industrial research. No clinical trials or approved indications exist for this compound.
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| Molecular Formula |
C7H9BO3
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|---|---|
| Molecular Weight |
151.96
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| Exact Mass |
152.064
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| CAS # |
5720-06-9
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| PubChem CID |
2733958
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
306.8±44.0 °C at 760 mmHg
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| Melting Point |
105-110 °C(lit.)
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| Flash Point |
139.3±28.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.524
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| LogP |
1.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
11
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| Complexity |
118
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C)C1C=CC=CC=1B(O)O
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| InChi Key |
ROEQGIFOWRQYHD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H9BO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
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| Chemical Name |
(2-methoxyphenyl)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) |
DMSO: ~100 mg/mL (~658.1 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.45 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (16.45 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (16.45 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.5807 mL | 32.9034 mL | 65.8068 mL | |
| 5 mM | 1.3161 mL | 6.5807 mL | 13.1614 mL | |
| 10 mM | 0.6581 mL | 3.2903 mL | 6.5807 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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