7-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine: A Versatile Pharmaceutical Building Block

Product Introduction

7-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is a brominated fused heterocyclic compound used as a building block in pharmaceutical and medicinal chemistry synthesis.

The molecule contains a pyridine ring fused with a saturated 1,4-oxazine ring. Its structure also features a bromine substituent at the 7-position, creating an opportunity for further functionalization through suitable cross-coupling reactions.

Compared with more conventional monocyclic brominated pyridines, this compound offers a preassembled bicyclic scaffold that can help reduce the number of ring-construction steps required in downstream synthesis.

Product Specifications

• · Product Name: 7-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
• · CAS Number: 946121-78-4
• · Molecular Formula: C₇H₇BrN₂O
• · Molecular Weight: 215.05 g/mol
• · Chemical Class: Brominated fused pyrido-oxazine
• · Synonyms: 7-Bromo-1H,2H,3H-pyrido[2,3-b][1,4]oxazine; 7-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

The molecular formula and molecular weight are supported by chemical reference data.

Understanding the Molecular Structure

The compound consists of two fused heterocyclic rings: a pyridine ring and a saturated oxazine ring.

This architecture provides a relatively rigid molecular framework while retaining functional groups that can participate in further chemical transformations.

1. Brominated Pyridine Position

The bromine atom at the 7-position is a key feature for synthetic development.

It may participate in suitable palladium-catalyzed coupling reactions, including Suzuki-Miyaura and other cross-coupling transformations.

Through these reactions, chemists can introduce different aromatic or heteroaromatic groups without rebuilding the entire fused-ring system.

2. Saturated Oxazine Ring

The 2,3-dihydro-1,4-oxazine ring contains both nitrogen and oxygen atoms.

Its saturated structure distinguishes the compound from related oxazinone intermediates containing a carbonyl group.

The ring nitrogen also provides a potential site for further functionalization, depending on the intended synthesis and reaction conditions.

3. Fused Bicyclic Framework

The pyrido-oxazine scaffold offers a defined arrangement of heteroatoms and substituents.

For pharmaceutical research, this type of fused-ring structure can serve as a foundation for molecular diversification and structure-activity relationship studies.

Comparison with the Corresponding Oxazinone Compound

CAS 946121-78-4 is structurally related to 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one, CAS 105544-36-3.

Although both compounds contain a brominated pyrido-oxazine framework, their ring oxidation states and functional groups differ.

This difference is important when selecting an intermediate for a particular synthetic route. The compounds should not be considered interchangeable without route-specific validation.

Synthetic and Research Applications

Brominated fused heterocycles are useful in pharmaceutical research because they combine a preassembled molecular scaffold with a position suitable for further structural modification.

Potential applications of CAS 946121-78-4 include:

• · Synthesis of substituted pyrido-oxazine derivatives
• · Palladium-catalyzed cross-coupling research
• · Development of fused nitrogen-containing heterocycles
• · Pharmaceutical intermediate preparation
• · Medicinal chemistry and compound-library development
• · Structure-activity relationship studies

The supplied product portfolio associates this compound with Necrostatin-2-related intermediate sourcing. However, the specific role of CAS 946121-78-4 in a validated Necrostatin-2 manufacturing route has not been independently established from the public references reviewed. Buyers should confirm the intended route and intermediate assignment before relying on this application description.

Quality Requirements for Pharmaceutical Buyers

For pharmaceutical intermediate procurement, the quality of CAS 946121-78-4 should be evaluated through both structural identification and impurity testing.

Particular attention should be given to the distinction between the reduced oxazine and its corresponding oxazinone analog.

For downstream cross-coupling reactions, buyers may also wish to evaluate whether the impurity profile is compatible with the selected catalyst system and purification process.

Storage and Handling Considerations

Commercial chemical references list storage under an inert atmosphere, such as nitrogen or argon, at refrigerated temperatures for this compound. Some suppliers also recommend protection from light.

Actual storage conditions should be determined using the product-specific stability data, safety documentation, and packaging recommendations provided by the manufacturer.

For procurement teams, it is advisable to confirm:

• · Recommended storage temperature
• · Whether inert-gas protection is required
• · Light-protection requirements
• · Packaging material and sealing conditions
• · Retest period or shelf-life information

These details help maintain material quality during storage, transportation, and production planning.

Choosing a Reliable Supplier

When sourcing CAS 946121-78-4, buyers should consider not only price and availability but also the supplier’s ability to provide consistent analytical quality.

Important evaluation points include:

1. Verified CAS number and chemical identity.

2. Batch-specific COA and assay results.

3. HPLC impurity profile.

4. NMR or mass spectrometry identification data.

5. Sample availability for process evaluation.

6. Suitable packaging and storage recommendations.

7. Consistent supply for repeat procurement.

For advanced heterocyclic intermediates, these factors are particularly important because structurally similar impurities may complicate downstream synthesis and purification.

Shanghai Lizhuo Pharmaceutical Technology

Shanghai Lizhuo Pharmaceutical Technology Co., Ltd. focuses on pharmaceutical intermediate R&D, custom synthesis, and production support.

The company reports having a 1,000 m² R&D laboratory, two pilot production workshops, and reactors ranging from 50 L to 1,000 L. Its equipment supports different temperature-control and chemical processing requirements.

For customers evaluating CAS 946121-78-4, potential cooperation areas include specification confirmation, sample evaluation, custom synthesis, and production-scale supply coordination.

More information about the company’s capabilities is available through the official company profile.

Conclusion

7-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is a brominated fused heterocyclic building block with a saturated oxazine ring and a functionalizable aromatic bromine position.

Its preassembled bicyclic structure makes it useful for pharmaceutical intermediate research, while the bromine substituent offers opportunities for further molecular diversification.

For B2B buyers, the main sourcing priorities are verified chemical identity, control of structurally related impurities, appropriate storage conditions, and consistent batch documentation.