1-tert-Butyl 3-methyl (3R,4S)-4-(3-fluorophenyl)pyrrolidine-1,3-dicarboxylate CAS 1820580-59-3
| CAS No. | 1820580-59-3 |
| Molecular Formula | C17H22FNO4 |
| Molecular Weight | 323.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-tert-Butyl 3-methyl (3R,4S)-4-(3-fluorophenyl)pyrrolidine-1,3-dicarboxylate is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-tert-Butyl 3-methyl (3R,4S)-4-(3-fluorophenyl)pyrrolidine-1,3-dicarboxylate (CAS 1820580-59-3), molecular formula C17H22FNO4 and molecular weight 323.36 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H22FNO4, 1-tert-Butyl 3-methyl (3R,4S)-4-(3-fluorophenyl)pyrrolidine-1,3-dicarboxylate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 323.36 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C17H22FNO4 |
| Molecular Weight | 323.36 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 1-(Tert-butyl) 3-methyl (3R,4S)-4-(4-fluorophenyl)pyrrolidine-1,3-dicarboxylate (CAS 1820574-66-0)
- 1-(tert-Butoxycarbonyl)-3-(4-fluorobenzyl)-2-pyrrolidinecarboxylic acid (CAS 1822497-70-0)
- Modafiendz (CAS 1613222-54-0)
- 1-(Tert-butyl) 3-methyl 4-(4-fluorophenyl)pyrrolidine-1,3-dicarboxylate (CAS 1823459-33-1)
- (1-Amino-3-methylcyclohexyl)methanol (CAS 90226-45-2)
- 3-Chloro-4-((2-fluorobenzyl)oxy)benzohydrazide (CAS 1706429-06-2)
- Vernakalant Impurity 2 (CAS 795281-99-1)
- 3-ethoxy-4-(methylamino)cyclobut-3-ene-1,2-dione (CAS 29950-13-8)
- (3aS,8aR)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole (CAS 2757082-23-6)
- 2-(2,6-dichloro-4-pyridyl)-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole (CAS 263564-83-6)
- Famotidine Impurity 61 (CAS CATO-C4X-139261)
- 3-Amino-3-(2,6-difluorophenyl)cyclobutan-1-ol (CAS 2092485-92-0)
- 5-(Difluoromethyl)furan-2-carboxamide (CAS 214040-86-5)
- Calcium-Like Peptide 3 (CAS 261969-05-5)
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