Cas no 1923133-59-8 (trans-Octahydro-2H-1,4-benzoxazine hydrobromide)

Trans-Octahydro-2H-1,4-benzoxazine hydrobromide is a bicyclic organic compound featuring a saturated benzoxazine core with a hydrobromide salt form. This structure imparts enhanced stability and solubility, making it suitable for pharmaceutical and synthetic applications. The trans-configuration ensures stereochemical specificity, which is critical for selective reactivity in chiral synthesis. Its hydrobromide salt improves handling and storage due to reduced hygroscopicity compared to freebase forms. The compound serves as a versatile intermediate in medicinal chemistry, particularly for developing CNS-active agents or heterocyclic derivatives. Its rigid framework also supports structural modifications for probing structure-activity relationships in drug discovery.
trans-Octahydro-2H-1,4-benzoxazine hydrobromide structure
1923133-59-8 structure
Product Name:trans-Octahydro-2H-1,4-benzoxazine hydrobromide
CAS No:1923133-59-8
MF:C8H16BrNO
MW:222.122741699219
CID:4629783
Update Time:2025-10-29

trans-Octahydro-2H-1,4-benzoxazine hydrobromide Chemical and Physical Properties

Names and Identifiers

    • trans-Octahydro-2H-1,4-benzoxazine hydrobromide
    • Inchi: 1S/C8H15NO.BrH/c1-2-4-8-7(3-1)9-5-6-10-8;/h7-9H,1-6H2;1H/t7-,8-;/m1./s1
    • InChI Key: OJIRJOVRSAKRLY-SCLLHFNJSA-N
    • SMILES: Br.O1CCN[C@@H]2CCCC[C@@H]12

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 116
  • Topological Polar Surface Area: 21.3

trans-Octahydro-2H-1,4-benzoxazine hydrobromide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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trans-Octahydro-2H-1,4-benzoxazine hydrobromide Related Literature

Additional information on trans-Octahydro-2H-1,4-benzoxazine hydrobromide

Comprehensive Overview of trans-Octahydro-2H-1,4-benzoxazine hydrobromide (CAS No. 1923133-59-8)

trans-Octahydro-2H-1,4-benzoxazine hydrobromide (CAS No. 1923133-59-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural properties and potential applications. This compound belongs to the benzoxazine class, which is known for its versatility in drug discovery and material science. The hydrobromide salt form enhances its stability and solubility, making it a preferred choice for various experimental and industrial applications.

In recent years, the demand for trans-Octahydro-2H-1,4-benzoxazine derivatives has surged, driven by their potential in central nervous system (CNS) drug development. Researchers are particularly interested in its stereospecificity and bioavailability, which are critical factors in designing effective therapeutics. The compound's rigid bicyclic structure offers a scaffold for modulating receptor interactions, a topic frequently searched in AI-driven drug design platforms. This aligns with the growing trend of computational chemistry and molecular docking studies, where such compounds are analyzed for their binding affinities.

The synthesis of trans-Octahydro-2H-1,4-benzoxazine hydrobromide involves multi-step organic reactions, often highlighted in academic literature for its chiral purity and yield optimization. These aspects are frequently queried in search engines by chemistry students and professionals seeking synthetic protocols or reaction mechanisms. The compound's HBr salt form also raises questions about its crystallization techniques and hygroscopicity, which are common pain points in lab-scale production.

From an industrial perspective, 1923133-59-8 is often discussed in forums focusing on scale-up challenges and GMP compliance. Its relevance to green chemistry principles is another hot topic, as researchers explore solvent-free or catalytic methods to synthesize such compounds sustainably. This resonates with the broader scientific community's shift toward eco-friendly synthesis, a keyword frequently paired with benzoxazine derivatives in academic searches.

In addition to its pharmaceutical potential, trans-Octahydro-2H-1,4-benzoxazine hydrobromide has been studied for its material science applications. Its thermal stability and polymer compatibility make it a candidate for advanced coatings and adhesives, a niche yet growing area of interest. This dual applicability—spanning drug development and industrial materials—positions the compound as a versatile subject in interdisciplinary research.

Quality control of CAS No. 1923133-59-8 is another critical aspect, with analytical techniques like HPLC, NMR, and mass spectrometry being central to its characterization. Searches for purity standards and analytical validation often include this compound, reflecting the rigor required in its handling. Regulatory guidelines, such as those from the FDA or EMA, further emphasize the need for precise documentation of its physicochemical properties.

In summary, trans-Octahydro-2H-1,4-benzoxazine hydrobromide (CAS No. 1923133-59-8) represents a compelling case study in modern chemistry. Its multifaceted applications, from CNS therapeutics to advanced materials, coupled with the technical nuances of its synthesis and analysis, make it a recurring subject in both academic and industrial discourse. As AI and machine learning continue to revolutionize chemical research, compounds like this will likely remain at the forefront of innovation.

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