Methyl 2-(4-(4-bromobenzoyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-3-yl)acetate CAS 439096-46-5
| CAS No. | 439096-46-5 |
| Molecular Formula | C18H16BrNO4 |
| Molecular Weight | 390.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 2-(4-(4-bromobenzoyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-3-yl)acetate (C18H16BrNO4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies Methyl 2-(4-(4-bromobenzoyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-3-yl)acetate (CAS 439096-46-5), a certified reference material (molecular formula C18H16BrNO4, MW 390.23 g/mol) for analytical method development and quality control.
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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C18H16BrNO4 |
| Molecular Weight | 390.23 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 5-(4-Bromobenzoyl)-N-(2-chlorophenyl)-1,3-thiazol-2-amine (CAS 339022-37-6)
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- N-(4-(4-Bromobenzoyl)phenyl)-5-methylisoxazole-4-carboxamide (CAS 73076-37-6)
- 1-(4-(2-Bromobenzoyl)-1H-pyrrol-2-yl)-2,2,2-trichloroethan-1-one (CAS 477852-47-4)
- 1-(4-(3-Bromobenzoyl)-1H-pyrrol-2-yl)-2,2,2-trichloroethanone (CAS 453557-86-3)
- (2-Bromobenzoyl) 2-bromobenzoate (CAS 49619-44-5)
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Recommended Standards
- Ethyl 4-(4-bromophenoxy)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS 2459725-77-8)
- N-(1H-Benzo[d]imidazol-2-yl)-5-bromo-2-(2-methoxyethoxy)benzamide (CAS 81268-64-6)
- 5-Bromo-3-((3-fluoropyrrolidin-1-yl)sulfonyl)-1H-indole-2-carboxamide (CAS 918494-77-6)
- (1-(tert-Butoxycarbonyl)-5-(((tert-butoxycarbonyl)amino)methyl)-1H-indol-2-yl)boronic acid (CAS 1137644-45-1)
- 5-chloro-2-hydroxybenzene-1-carboximidamide hydrochloride (CAS 1795436-91-7)
- Tetramethylfluthrin (CAS 84937-88-2)
- 2,2-Dimethyl-4-(1h-pyrazol-1-yl)butanenitrile (CAS 1488723-41-6)
- 2-Bromo-6-fluoropyridine-4-sulfonyl chloride (CAS 1261536-30-4)
- Ethyl 4-Bromo-3-oxo-2-phenylbutanoate (CAS 408320-75-2)
- Fluvoxamine (CAS 54739-18-3)
- Saxagliptin Impurity 12 (CAS 1564265-94-6)
- 3-(3-Methoxy-4-nitro-1h-pyrazol-1-yl)propanehydrazide (CAS 1004644-62-5)
- 1-N-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine (CAS 1152561-57-3)
- Semaglutide impurity 65 (CAS CATO-C4X-222665)
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