Methyl 2-[4-(4-bromobenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate CAS 865657-63-2
| CAS No. | 865657-63-2 |
| Molecular Formula | C17H16BrNO5S |
| Molecular Weight | 426.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 2-[4-(4-bromobenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 2-[4-(4-bromobenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate (CAS 865657-63-2) is a high-purity analytical reference standard with the molecular formula C17H16BrNO5S and a molecular weight of 426.28 g/mol.
Based on its molecular formula C17H16BrNO5S, Methyl 2-[4-(4-bromobenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 426.28 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures Methyl 2-[4-(4-bromobenzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H16BrNO5S |
| Molecular Weight | 426.28 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methyl Standards
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Recommended Standards
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- 1-bromo-8-chloroimidazo[1,5-a]pyrazine (CAS 1352897-61-0)
- 1-{[(2R,3R)-2-(2,3-Difluorophenyl)-3-methyloxiran-2-yl]methyl}-1H-1,2,3-triazole (CAS 1356090-35-1)
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- 4,5-Diiodo-1-methylimidazole (CAS 37067-96-2)
- 5-Chlorobenzo[d][1,3]dioxole-4-carbaldehyde (CAS 249636-63-3)
- D-Pro31-Tirzepatide (CAS CATO-CPTD788905)
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