![6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine](/upload/1124/V66043.png)
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| Targets |
6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine does not have a defined pharmacological target as it is a synthetic intermediate and pharmaceutical intermediate. The compound is used as a building block in organic synthesis and medicinal chemistry. As a brominated benzodioxane derivative, it serves as a precursor for synthesizing various pharmaceutical compounds and bioactive molecules. Its derivatives may target various biological targets depending on the specific modifications made.
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| ln Vitro |
6-Bromo-1,4-benzodioxane is employed as an intermediary in pharmaceuticals.
No direct in vitro pharmacological activity data are available for 6-bromo-2,3-dihydrobenzo[b][1,4]dioxine as it is a synthetic intermediate. In research settings, the compound is used as a building block for synthesizing libraries of benzodioxane-based compounds that are subsequently screened for biological activity. Its activity is assessed in terms of synthetic utility and reactivity rather than direct biological activity. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 6-bromo-2,3-dihydrobenzo[b][1,4]dioxine as it is not a therapeutic agent. The compound is used in chemical synthesis and is not administered directly to animals. Its derivatives and the compounds synthesized from it may be evaluated in animal models depending on the therapeutic area.
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| Enzyme Assay |
For non-cellular assays, 6-bromo-2,3-dihydrobenzo[b][1,4]dioxine is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. The compound can be evaluated as a substrate in various organic reactions including Suzuki-Miyaura and Buchwald-Hartwig cross-coupling reactions. Typical protocols involve dissolving the compound in appropriate solvents and analyzing reaction products by chromatographic methods. Purity is typically ≥97%. The compound has a molecular weight of 215.04 and molecular formula C8H7BrO2.
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| Cell Assay |
For in vitro cell-based studies, 6-bromo-2,3-dihydrobenzo[b][1,4]dioxine is not typically used as a direct test compound. The compound is used as a building block for synthesizing biologically active molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken. The compound should be stored in a cool, dry place protected from light and moisture.
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| Animal Protocol |
For in vivo animal studies, 6-bromo-2,3-dihydrobenzo[b][1,4]dioxine can be formulated using standard injection vehicles. The compound is a solid at room temperature. Dosing solutions should be freshly prepared and administered according to specific protocols. Standard handling procedures for brominated compounds should be followed.
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| ADME/Pharmacokinetics |
6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine has a molecular weight of 215.04 and molecular formula C8H7BrO2. It has an MDL number of MFCD00040750. Purity: typically ≥97%. Storage: keep in a cool, dry place protected from light and moisture. The compound is used as a pharmaceutical intermediate.
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| Toxicity/Toxicokinetics |
6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Brominated compounds should be handled with care. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine (CAS 52287-51-1) is also known as 6-bromo-1,4-benzodioxane and 3,4-ethylenedioxybromobenzene. It has an MDL number of MFCD00040750. The compound is used as a pharmaceutical intermediate. No clinical trials or therapeutic approvals exist for the parent compound.
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| Molecular Formula |
C8H7BRO2
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| Molecular Weight |
215.04
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| Exact Mass |
213.962
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| CAS # |
52287-51-1
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| PubChem CID |
104141
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| Appearance |
Colorless to light yellow liquid（Density：1.598 g/cm3）
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
258.3±39.0 °C at 760 mmHg
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| Flash Point |
117.6±22.6 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.579
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| LogP |
3.04
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
11
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| Complexity |
140
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC1C([H])=C([H])C2=C(C=1[H])OC([H])([H])C([H])([H])O2
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| InChi Key |
LFCURAJBHDNUNG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H7BrO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2
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| Chemical Name |
6-bromo-2,3-dihydro-1,4-benzodioxine
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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: ~200 mg/mL (~930.1 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (23.25 mM) 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; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 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 2: ≥ 5 mg/mL (23.25 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 (50.0 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 | 4.6503 mL | 23.2515 mL | 46.5030 mL | |
| 5 mM | 0.9301 mL | 4.6503 mL | 9.3006 mL | |
| 10 mM | 0.4650 mL | 2.3251 mL | 4.6503 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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