7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid CAS 99734-98-2
| CAS No. | 99734-98-2 |
| Molecular Formula | C17H17F2N3O3 |
| Molecular Weight | 349.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 99734-98-2), molecular formula C17H17F2N3O3 and molecular weight 349.33 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (C17H17F2N3O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 349.33 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C17H17F2N3O3 |
| Molecular Weight | 349.33 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 |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Aminopyrrolidin Standards
- (S)-7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 133298-78-9)
- 7-(3-Aminopyrrolidin-1-yl-1-Tert-Butyl-6-Fluoro-4-Oxo-1,8-Naphthyridine-3-Carboxylic Acid (CAS 116163-01-0)
- (S)-7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 178174-16-8)
- 7-(3-Aminopyrrolidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid (CAS 84424-24-8)
- (S)-7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 178233-18-6)
- 7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid (CAS 96568-33-1)
- 8-(3-Aminopyrrolidin-1-yl)-2-(2-fluorobenzyl)-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one (CAS 1707603-39-1)
- 8-(3-Aminopyrrolidin-1-yl)-2-(4-fluorobenzyl)-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one (CAS 1710833-87-6)
Recommended Standards
- 4-Phenyl-N-(4-(trifluoromethyl)phenyl)-1,2,3-thiadiazole-5-carboxamide (CAS 477857-87-7)
- Methyl 4-((2R,4R)-4-amino-7-(difluoromethoxy)chroman-2-yl)benzoate (CAS 2230671-22-2)
- 4-Phenyl-N-(3-(trifluoromethyl)phenyl)-1,2,3-thiadiazole-5-carboxamide (CAS 477857-86-6)
- N-((1,3-Dioxolan-2-yl)methyl)-3-(difluoromethoxy)-N-phenylbenzamide (CAS 864685-32-5)
- 7-Methylquinoline-8-carboxylic acid (CAS 70585-54-5)
- 4-(Chlorocarbonyl)phenyl methyl carbonate (CAS 78152-12-2)
- Pentyltrichlorosilane (CAS 107-72-2)
- Gefitinib Impurity 40 (CAS 179688-53-0)
- N,N-Diethyldithiocarbamate Sodium Salt (CAS 20624-25-3)
- Trilinolenin (CAS 14465-68-0)
- 1-Cyclohexyl-2,2-difluoroethan-1-one (CAS 61153-51-3)
- N-benzyl-2-chloro-2,2-difluoroacetamide (CAS 478258-77-4)
- [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate (CAS 73449-07-7)
- Liraglutide Impurity 13 TFA Salt (CAS CATO-C4X-199213)
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