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| Other Sizes |
| Targets |
2,4-Dimethoxybenzyl alcohol targets functional groups in organic molecules as a protecting group reagent. The compound is used to introduce the 2,4-dimethoxybenzyl (DMB) protecting group, which protects alcohols and amines during chemical synthesis. The DMB group is stable under various reaction conditions and can be removed under mild acidic conditions. The compound's methoxy groups enhance the stability and reactivity of the protecting group. Its role is purely chemical rather than biological. Further research is needed to identify any potential biological targets.
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| ln Vitro |
In vitro studies of 2,4-Dimethoxybenzyl alcohol have focused on its role as a protecting group reagent in organic synthesis. The compound's reactivity and stability have been characterized in various chemical reactions. It is used to protect alcohols and amines during multistep synthesis. The compound's purity and identity are assessed using analytical chemistry methods. These in vitro studies provide foundational data for understanding the compound's utility in organic synthesis and chemical research.
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| ln Vivo |
In vivo studies of 2,4-Dimethoxybenzyl alcohol are not applicable, as the compound is primarily used as a chemical reagent for organic synthesis rather than as a therapeutic agent. The compound is not intended for administration to living organisms. Its applications are limited to chemical research and synthesis. The compound is not approved for human therapeutic use and is intended for research purposes only.
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| Enzyme Assay |
In vitro chemical assays for 2,4-Dimethoxybenzyl alcohol involve testing its reactivity as a protecting group reagent. The compound's ability to form the DMB protecting group with alcohols and amines is assessed using standard organic chemistry techniques. Reaction progress is monitored using thin-layer chromatography or high-performance liquid chromatography. The compound's purity and identity are assessed using nuclear magnetic resonance spectroscopy and mass spectrometry. All assays are performed with appropriate controls and standardized protocols to ensure reproducibility of results.
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| Cell Assay |
In vitro cell-based assays are not applicable for 2,4-Dimethoxybenzyl alcohol, as the compound is a chemical reagent used for organic synthesis rather than a biological agent. The compound is not intended for cell-based studies as a direct pharmacological agent. Its applications are limited to chemical research and synthesis. Cell-based assays may be used to evaluate the biological activity of compounds synthesized using the DMB protecting group, but the protecting group reagent itself is not tested in cell-based systems.
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| Animal Protocol |
In vivo animal experiments are not applicable for 2,4-Dimethoxybenzyl alcohol, as the compound is a chemical reagent used for organic synthesis rather than a therapeutic agent. The compound is not administered to animals for pharmacological evaluation. Its applications are limited to chemical research and synthesis. The compound is not intended for in vivo use. All procedures involving the compound are conducted in laboratory settings for research purposes only.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 2,4-Dimethoxybenzyl alcohol are not applicable, as the compound is a chemical reagent used for organic synthesis rather than a therapeutic agent. It has a molecular weight consistent with its formula C9H12O3. As a small aromatic alcohol, it would be metabolized through standard pathways if administered, but it is not intended for such use. The compound's physicochemical properties including solubility and stability are characterized for its use as a chemical reagent.
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| Toxicity/Toxicokinetics |
The toxicity profile of 2,4-Dimethoxybenzyl alcohol has been evaluated in the context of its use as a research chemical. As an aromatic alcohol, it may have irritant properties. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile. The compound's use as a chemical reagent suggests it is handled under controlled conditions.
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| References | |
| Additional Infomation |
Structure in the first source
2,4-Dimethoxybenzyl alcohol (CAS# 7314-44-5) is a benzyl alcohol derivative with the molecular formula C9H12O3. It features two methoxy groups at the 2 and 4 positions of the benzene ring and a hydroxymethyl group. The compound is used as a protecting group in organic synthesis, particularly for the protection of alcohols and amines. As a dimethoxybenzyl alcohol, it is a useful reagent for the introduction of the 2,4-dimethoxybenzyl (DMB) protecting group. 2,4-Dimethoxybenzyl alcohol is intended for research use only and is not for human therapeutic use. |
| Molecular Formula |
C9H12O3
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|---|---|
| Molecular Weight |
168.19
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| Exact Mass |
168.078
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| CAS # |
7314-44-5
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| PubChem CID |
81750
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| Appearance |
White to yellow <35°C powder,>39°C liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
316.7±0.0 °C at 760 mmHg
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| Melting Point |
38-40 °C(lit.)
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| Flash Point |
126.8±23.2 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.521
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| LogP |
0.75
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
12
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| Complexity |
127
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C1C([H])=C(C([H])=C([H])C=1C([H])([H])O[H])OC([H])([H])[H]
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| InChi Key |
RNKOUSCCPHSCFE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5,10H,6H2,1-2H3
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| Chemical Name |
(2,4-dimethoxyphenyl)methanol
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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 (594.57 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.86 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (14.86 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (14.86 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.9457 mL | 29.7283 mL | 59.4566 mL | |
| 5 mM | 1.1891 mL | 5.9457 mL | 11.8913 mL | |
| 10 mM | 0.5946 mL | 2.9728 mL | 5.9457 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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