(S)-1-(tert-Butoxycarbonyl)-2-(3,4-difluorobenzyl)-pyrrolidine-2-carboxylic acid CAS 1217626-91-9
| CAS No. | 1217626-91-9 |
| Molecular Formula | C17H21F2NO4 |
| Molecular Weight | 341.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(S)-1-(tert-Butoxycarbonyl)-2-(3,4-difluorobenzyl)-pyrrolidine-2-carboxylic acid (CAS 1217626-91-9), molecular formula C17H21F2NO4 and molecular weight 341.35 g/mol, is a CATO reference standard with documented purity and traceability.
(S)-1-(tert-Butoxycarbonyl)-2-(3,4-difluorobenzyl)-pyrrolidine-2-carboxylic acid (C17H21F2NO4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. 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. 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 | C17H21F2NO4 |
| Molecular Weight | 341.35 g/mol |
| Appearance | Off-white to pale 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 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.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 4-[Difluoro(pyridin-2-yl)acetyl]piperazine, N1-BOC protected (CAS 1159512-43-2)
- Methyl (S)-2-(((benzyloxy)carbonyl)amino)-2-(4,4-difluorocyclohexyl)acetate (CAS 1241377-40-1)
- Cephacetrile Impurity 5 (CAS CATO-C4X-23115)
- Benzyl 4-(2-ethoxy-2-oxoethyl)-3,3-difluoropiperidine-1-carboxylate (CAS 1334417-71-8)
- α-Tocopherol glucoside (CAS 104832-72-6)
- (S)-1-(1-Isocyanatoethyl)-3-methoxybenzene (CAS 745784-08-1)
- 2-(3-Methylpiperidin-1-yl)pyridin-3-amine (CAS 926219-72-9)
- 1-(4,4-Difluorocyclohexyl)-3-methylurea (CAS 1864423-64-2)
- (3R,3AS,6aR)-3-isopropylhexahydro-1H-cyclopenta[c]furan-1-one (CAS 804566-56-1)
- 6beta-Hydroxyipolamiide 87797-84-0 C17H26O12 W1732 (CAS 87797-84-0)
- 1-{thieno[3,2-b]thiophen-2-yl}ethan-1-one (CAS 39131-69-6)
- 4,5,6,7-Tetrahydro-1,2-benzoxazole-3-carboxylic acid (CAS 90005-77-9)
- 2-((Allyloxy)methyl)aniline (CAS 214914-31-5)
- Exenatide Acetate (CAS 141732-76-5)
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