5-((3,4-Difluorobenzyl)oxy)-6-oxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid CAS 866008-16-4
| CAS No. | 866008-16-4 |
| Molecular Formula | C13H11F2NO4 |
| Molecular Weight | 283.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-((3,4-Difluorobenzyl)oxy)-6-oxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-((3,4-Difluorobenzyl)oxy)-6-oxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid (CAS 866008-16-4), molecular formula C13H11F2NO4 and molecular weight 283.23 g/mol, is a CATO reference standard with documented purity and traceability.
5-((3,4-Difluorobenzyl)oxy)-6-oxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid (C13H11F2NO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C13H11F2NO4 |
| Molecular Weight | 283.23 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Difluorobenzyl Standards
- 1-(2,4-Difluorobenzyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 1340830-22-9)
- 2-(1-(2,3-Difluorobenzyl)-3-oxopiperazin-2-yl)acetic acid (CAS 1033600-07-5)
- 2-(1-(3,4-Difluorobenzyl)-3-oxopiperazin-2-yl)acetic acid (CAS 1033600-31-5)
- 2-((2,3-Difluorobenzyl)thio)nicotinic acid (CAS 1152830-63-1)
- 1-(2,6-Difluorobenzyl)-4-methyl-1H-benzo[d]imidazole-2-carbaldehyde (CAS 199594-83-7)
- Methyl 1-(3,4-difluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylate (CAS 1001414-50-1)
- 5-(3,4-Difluorobenzyl)-1-methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid (CAS 1956328-38-3)
- Methyl 1-(3,4-difluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylate (CAS 242797-16-6)
Recommended Standards
- 3-Amino-1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4(1H,3H)-dione (CAS 351368-41-7)
- Ethyl 6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 950726-72-4)
- 3-(4-Fluoro-2-nitrophenoxy)thiophene-2-carboxylic acid (CAS 303152-17-2)
- Methyl 3-(2-ethoxy-2-oxoethoxy)-4-nitrobenzoate (CAS 214848-28-9)
- (3-Phenylpropyl)carbamic Acid Ethyl Ester (CAS 185910-72-9)
- 2-(2-Methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1005150-94-6)
- 4-(Bromomethyl)-3-fluorobenzaldehyde (CAS 1416980-24-9)
- Methyl 3,4-dihydropyrrolo[2,3-d]imidazole-5-carboxylate (CAS 2106703-86-8)
- 4-(4-Chlorobenzoyl)-N'-(6-chloropyridin-2-yl)-1H-pyrrole-2-carbohydrazide (CAS 338403-50-2)
- (S)-2-Amino-1-morpholinopropan-1-one (CAS 359821-48-0)
- (2Z)-2-(Benzenesulfonyl)-3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one (CAS 344266-75-7)
- 2-Chloro-N-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetamide (CAS 1354957-99-5)
- 2-Amino-N-ethyl-N-(2-hydroxyethyl)-3-methylbutanamide hydrochloride (CAS 1236256-80-6)
- Semaglutide impurity 94 (CAS CATO-C4X-222694)
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