(3S,4R)-Methyl 1-(tert-butyl)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate CAS 455957-73-0
| CAS No. | 455957-73-0 |
| Molecular Formula | C16H21F2NO2 |
| Molecular Weight | 297.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of (3S,4R)-Methyl 1-(tert-butyl)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate (C16H21F2NO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
(3S,4R)-Methyl 1-(tert-butyl)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate (CAS 455957-73-0), molecular formula C16H21F2NO2 and molecular weight 297.34 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), (3S,4R)-Methyl 1-(tert-butyl)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H21F2NO2 |
| Molecular Weight | 297.34 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (2E)-2-Phenyl-N-(1H-1,2,3,4-tetrazol-5-yl)-3-(thiophen-2-yl)prop-2-enamide (CAS 478249-10-4)
- (S)-4,4-difluoro-N-(3-hydroxy-1-phenylpropyl)cyclohexane-1-carboxamide (CAS 376348-77-5)
- Benzo[c][1,2,5]thiadiazol-5-yl(7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)methanone (CAS 1797142-46-1)
- 2-(4-(Tert-butyl)phenoxy)-N-(cyclopropylmethyl)-2,2-difluoroacetamide (CAS 400075-43-6)
- (6-Bromo-4-cyclopropoxypyridin-3-yl)methanamine (CAS 1243469-04-6)
- 1-(3,5-Bis(perfluoropropyl)-1H-pyrazol-1-yl)ethan-1-one (CAS 231630-85-6)
- 2-((6-(Methylsulfonyl)pyridin-3-yl)amino)-5-nitropyrimidin-4(1H)-one (CAS 77961-73-0)
- Sitagliptin Impurity 153 HCl (CAS 910409-20-0（free base）)
- 4-[(3-Chlorophenyl)sulfanyl]-5-methoxy-2-phenylpyrimidine (CAS 477872-58-5)
- 2-[3-cyclopropyl-4-(methoxycarbonyl)-6-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl]acetic acid (CAS 1018141-95-1)
- 1-benzoyl-octahydro-1H-indole-2-carboxylic acid (CAS 120084-07-3)
- Revefenacin impurity 98 (CAS CATO-C4X-203198)
- (4,4-Dimethyl-1,3-dioxolan-2-yl)methanol (CAS 344330-18-3)
- Semaglutide impurity 249 (CAS CATO-C4X-2226249)
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