(3S,4R,5S)-rel-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxylic acid CAS 1219086-89-1
| CAS No. | 1219086-89-1 |
| Molecular Formula | C23H22Cl2F2N2O2 |
| Molecular Weight | 467.34 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.
CATO supplies (3S,4R,5S)-rel-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxylic acid (CAS 1219086-89-1), a certified reference material (molecular formula C23H22Cl2F2N2O2, MW 467.34 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, (3S,4R,5S)-rel-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxylic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 467.34 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,5S)-rel-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-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 | C23H22Cl2F2N2O2 |
| Molecular Weight | 467.34 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- (2-((2,6-Dichlorobenzyl)thio)-1-methyl-1H-imidazol-5-yl)methyl (4-nitrophenyl)carbamate (CAS 338422-46-1)
- (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxylic acid (CAS 1219089-31-2)
- N-(2,4-dichloro-5-isopropoxyphenyl)-3-(4-nitrophenoxy)thiophene-2-carboxamide (CAS 339015-26-8)
- (2S,3R,4S,5R)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxylic acid (CAS 1219089-32-3)
- 2-((4,6-Dithioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)amino)acetic acid (CAS 89482-27-9)
- rac-[(3S,4R)-4-phenylpiperidin-3-yl]methanol (CAS 1808467-33-5)
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