TCI
6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid TCI D4242
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Description
TCI D4242 6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid (CAS 55453-87-7) is a heterocyclic compound built on a dibenzoxepine framework that carries a ketone group and an acetic acid group on its aromatic ring system. This tricyclic structure is widely recognised in medicinal chemistry because it forms the core scaffold of a number of active compounds, while also serving as an important synthetic intermediate. In the laboratory, the compound is used as a starting material for the preparation of dibenzoxepine derivatives, as a test substance in enzyme inhibition studies, and as a reference compound in structure–activity relationship research.
The property that makes this material a preferred choice is the combination of a rigid tricyclic framework with two reactive sites of distinctly different character. The carboxylic acid group allows esters, amides, or salts to be formed readily, while the carbonyl group at position 11 opens the way to addition, reduction, and olefination reactions for building more complex molecular frameworks. The rigidity of the dibenzoxepine skeleton provides a well-defined molecular geometry, a property that is highly valuable when researchers design enzyme inhibitor compounds and want to control the orientation of functional groups relative to the target site.
In Indonesian laboratories, this compound is typically handled in synthetic and medicinal chemistry settings: university research groups preparing dibenzoxepine derivatives, biochemistry laboratories running enzyme inhibition assays, and analytical groups that require a defined reference compound for comparison work. It is normally used at small scale on the bench, weighed out for reaction and assay work, and stored under controlled conditions between uses so that a single pack supports an extended research programme.
Laboratory Applications
- Synthesis of dibenzoxepine derivatives — the compound serves as a ready-made tricyclic starting material, so researchers can build target derivatives without first constructing the demanding oxepine ring system themselves.
- Enzyme inhibition studies — it is used as a test substance in inhibition work, where its defined tricyclic geometry allows the interaction with the enzyme target to be interpreted in structural terms.
- Structure–activity relationship research — the compound acts as a reference point against which modified analogues are compared, making it possible to attribute activity changes to specific structural modifications.
- Carboxylic acid derivatisation chemistry — the acetic acid group is readily converted into esters, amides, or salts, giving a straightforward route to libraries of related compounds from a single common precursor.
- Carbonyl-directed scaffold elaboration — the ketone at position 11 supports addition, reduction, and olefination reactions, letting chemists extend the rigid core into larger and more complex molecular frameworks.
Specifications
- Brand: TCI (Tokyo Chemical Industry)
- CAS number: 55453-87-7
- Catalogue number: D4242
- Category: Life Science > Biochemicals and Reagents > Enzymes, Enzyme Inhibitors, Enzyme Substrates
- Pack sizes: available in standard TCI research-scale pack sizes; please confirm the currently listed options when ordering
- Storage: keep in the tightly closed original container under the conditions stated on the manufacturer's label and safety data sheet
Handling and Storage
Store the compound in its tightly closed original container, kept dry and protected from light, and follow the specific storage conditions given on the manufacturer's label and safety data sheet. Amber glass or the supplied container is suitable; avoid transferring the material into unsuitable plastics or leaving containers open on the bench. Weigh and handle the compound in a fume hood, wearing a laboratory coat, safety glasses, and chemical-resistant gloves, and keep it away from strong oxidising agents, bases, and sources of ignition. Return the container promptly to storage after use, label all working solutions clearly with contents and date, and dispose of residues and contaminated consumables as chemical waste in line with institutional procedures. Consult the safety data sheet before first use.
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