Cas no 1923133-59-8 (trans-Octahydro-2H-1,4-benzoxazine hydrobromide)
trans-Octahydro-2H-1,4-benzoxazine hydrobromide Chemical and Physical Properties
Names and Identifiers
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- trans-Octahydro-2H-1,4-benzoxazine hydrobromide
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- 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 |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AI88994-1g |
trans-octahydro-2H-1,4-benzoxazine hydrobromide |
1923133-59-8 | 95% | 1g |
$214.00 | 2024-04-20 | |
| A2B Chem LLC | AI88994-5g |
trans-octahydro-2H-1,4-benzoxazine hydrobromide |
1923133-59-8 | 95% | 5g |
$824.00 | 2024-04-20 | |
| 1PlusChem | 1P00J2KI-1g |
trans-octahydro-2H-1,4-benzoxazine hydrobromide |
1923133-59-8 | 95% | 1g |
$242.00 | 2024-06-17 | |
| 1PlusChem | 1P00J2KI-5g |
trans-octahydro-2H-1,4-benzoxazine hydrobromide |
1923133-59-8 | 95% | 5g |
$948.00 | 2024-06-17 |
trans-Octahydro-2H-1,4-benzoxazine hydrobromide Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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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