(3S,4R)-1-(tert-butyl)-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carboxylic acid CAS 757974-04-2
| CAS No. | 757974-04-2 |
| Molecular Formula | C15H19ClFNO2 |
| Molecular Weight | 299.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(3S,4R)-1-(tert-butyl)-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carboxylic acid (CAS 757974-04-2) is a high-purity analytical reference standard with the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, (3S,4R)-1-(tert-butyl)-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carboxylic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 299.77 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), (3S,4R)-1-(tert-butyl)-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carboxylic acid 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 | C15H19ClFNO2 |
| Molecular Weight | 299.77 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.) | 1986 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- tert-butyl 2-[(chlorosulfonyl)methyl]morpholine-4-carboxylate (CAS 1955506-67-8)
- (4-Chlorophenyl)(2-phenylthiazol-5-yl)methanone (CAS 73161-81-6)
- Methyl (2R,4R)-1-(3-chloro-2-fluorobenzyl)-2-methylpiperidine-4-carboxylate (CAS 1919888-01-9)
- 2-((4-Chlorophenyl)thio)quinoline-3-carbaldehyde (CAS 749920-53-4)
- Methyl (4-chlorobenzyl)-l-alaninate (CAS 1222449-01-5)
- 2-(4-Fluorophenyl)-1-methyl-4-(trifluoromethyl)-1H-imidazole (CAS 33469-33-9)
- 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-oxiranylmethyl) ester, polymer with hexahydro-1,3-isobenzofurandione, 2-methyl-2-propenoate (CAS 139018-98-7)
- 4-Bromo-2-chloro-6-fluorobenzenethiol (CAS 1208074-77-4)
- (2S,3S)-3-amino-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid (CAS 959580-88-2)
- 3-Ethyl-7-(pyrrolidin-3-yl)quinoline (CAS 695185-28-5)
- (2-Bromo-5-methylphenyl)methanesulfonyl chloride (CAS 1518859-31-8)
- (E)-3-(6-(1H-1,2,4-Triazol-1-yl)pyridin-2-yl)acrylaldehyde (CAS 545424-11-1)
- 2,4,5-trimethoxyphenol (CAS 20491-91-2)
- Semaglutide (CAS CATO-C4X-2226105)
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