7-(3-Aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid CAS 105859-20-9
| CAS No. | 105859-20-9 |
| Molecular Formula | C20H15F4N3O3 |
| Molecular Weight | 421.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 421.35 g/mol gives 7-(3-Aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
7-(3-Aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 105859-20-9), molecular formula C20H15F4N3O3 and molecular weight 421.35 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 7-(3-Aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (C20H15F4N3O3) is characterized by a steroid 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. 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 | C20H15F4N3O3 |
| Molecular Weight | 421.35 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Aminopyrrolidin Standards
- (S)-7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethoxy)-1,4-dihydroquinoline-3-carboxylic acid (CAS 178174-20-4)
- (S)-7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 178174-19-1)
- 7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 182868-77-5)
- (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)
- (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-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 99734-98-2)
- 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)
Recommended Standards
- 1-(2,4-Difluorophenyl)-6,8-difluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid (CAS 105859-17-4)
- 3-Acetamido-6-acetyl-2-nitrophenyl 4-(dimethylamino)-3,5-difluorobenzoate (CAS 1548406-25-2)
- 883726-90-7 Fmoc-Thr(PO3H2)-OH MFCD02684511 (CAS 883726-90-7)
- 3-(Benzylthio)-1-(4-bromophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CAS 439096-60-3)
- N-(2,2-dimethylthietan-3-yl)-2,2-difluoropropanamide (CAS 1864252-66-3)
- 4-(Dimethoxy(methyl)silyl)aniline (CAS 113845-00-4)
- 2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrazine (CAS 1314389-98-4)
- 2-(4-Chlorophenyl)-6,8-dimethylquinoline-4-carboxylic acid (CAS 351357-26-1)
- Apixaban Impurity 75 (CAS CATO-C4X-108875)
- 4-Fluoro-2-methylphenyl Chloroformate (CAS 1552201-86-1)
- 6-Hydroxy-2-methylthiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione (CAS 18903-23-6)
- (6-(2,2,2-Trifluoroethoxy)pyridazin-3-yl)methanamine (CAS 1250676-60-8)
- tert-Butyl 4-oxo-1-azaspiro[4.5]decane-1-carboxylate (CAS 1784024-05-0)
- A-18-F-NH2; Morphine Modulating Neuropeptide (CAS 99588-52-0)
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