2-(4-(3-Fluorobenzyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid CAS 439107-43-4
| CAS No. | 439107-43-4 |
| Molecular Formula | C23H16FNO5 |
| Molecular Weight | 405.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 2-(4-(3-Fluorobenzyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid (CAS 439107-43-4), a certified reference material (molecular formula C23H16FNO5, MW 405.38 g/mol) for analytical method development and quality control.
The molecular framework of 2-(4-(3-Fluorobenzyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid (C23H16FNO5) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C23H16FNO5 |
| Molecular Weight | 405.38 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Fluorobenzyl Standards
- 2-(4-Fluorobenzyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid (CAS 281205-72-9)
- 5-((2-Fluorobenzyl)oxy)-2-(4-(3-methoxyphenoxy)-1H-pyrazol-3-yl)phenol (CAS 1009191-62-1)
- 2-((3-Fluorobenzyl)sulfonyl)-1-methyl-4,5-diphenyl-1H-imidazole (CAS 338957-03-2)
- 2-((4-Fluorobenzyl)sulfonyl)-1-methyl-4,5-diphenyl-1H-imidazole (CAS 339277-77-9)
- 2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-methoxyphenyl)ethanone (CAS 477329-63-8)
- N-(4-Fluorobenzyl)-2-(2-((2-fluorobenzyl)thio)-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide (CAS 921802-27-9)
- Ethyl 3-(((((4-fluorobenzyl)oxy)amino)methylene)amino)-4-methoxythieno[2,3-b]pyridine-2-carboxylate (CAS 341966-70-9)
- 4-(1-(2-Fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-1-(4-fluorophenyl)pyrrolidin-2-one (CAS 883645-50-9)
Recommended Standards
- (2R,3R,4S,5R)-2-(6-Amino-2-(4-fluorophenethoxy)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (CAS 131865-85-5)
- 2,2-Dimethoxyethyl[(dimethoxyphosphinyl)(3-methoxyphenyl)methyl]carbamic Acid Ethyl Ester (CAS 344578-06-9)
- Lansoprazole-d4 Sulfone N-Oxide (CAS 1190009-70-1)
- 4-((2-(2-oxo-2-(Phenylamino)acetyl)hydrazono)methyl)phenyl 2-fluorobenzoate (CAS 881468-12-8)
- Apixaban Impurity 35 (CAS 2285-12-3)
- Methyl 5-bromo-3-hydroxy-1H-indole-2-carboxylate (CAS 105488-46-8)
- 2-Methyl-5-nitrobenzonitrile (CAS 939-83-3)
- N-(4-Acetyl-5-methoxy-2-phenoxyphenyl)methanesulfonamide (CAS 123664-98-2)
- Intiquinatine (CAS 445041-75-8)
- 1-(2-(4-Fluorophenyl)-1-methyl-1H-imidazol-5-yl)ethan-1-one (CAS 944898-54-8)
- 2-((Bis(2,6-dimethylphenyl)methoxy)methyl)oxirane (CAS 19574-85-7)
- 1-fluoro-3-isothiocyanato-5-methylbenzene (CAS 1404091-62-8)
- 3-Hydroxy-4-(4-hydroxyphenyl)-1-methylpyrrolidine-2,5-dione (CAS 61837-69-2)
- Neuropeptide VF (124-131) (human) (CAS 311309-27-0)
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