rel-(2R,3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid tert-butyl ester CAS 1219086-88-0
| CAS No. | 1219086-88-0 |
| Molecular Formula | C27H30Cl2F2N2O2 |
| Molecular Weight | 523.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including rel-(2R,3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid tert-butyl ester.
CATO supplies rel-(2R,3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid tert-butyl ester (CAS 1219086-88-0), a certified reference material (molecular formula C27H30Cl2F2N2O2, MW 523.44 g/mol) for analytical method development and quality control.
rel-(2R,3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid tert-butyl ester (C27H30Cl2F2N2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures rel-(2R,3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid tert-butyl ester under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C27H30Cl2F2N2O2 |
| Molecular Weight | 523.44 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-{N-[5-(benzyloxy)-2,4-dichlorophenyl]4-methoxybenzenesulfonamido}-N,N-dimethylacetamide (CAS 338961-80-1)
- rel-(1R,2S)-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol (CAS 654653-81-3)
- Brodifacoum (CAS 56073-10-0)
- Idoxifene (CAS 116057-75-1)
- 1-(3-Hydroxy-[1,1'-biphenyl]-4-yl)thiourea (CAS 1820608-16-9)
- N,N,6-trimethyl-2-(pyrrolidin-2-yl)pyrimidin-4-amine dihydrochloride (CAS 1361112-22-2)
- 1-(3-Pyrrolidin-2-yl-5,6-dihydro-8H-[1,2,4]triazolo-[4,3-a]pyrazin-7-yl)-ethanone dihydrochloride (CAS 1361111-53-6)
- H-Ile-Lys-Val-Ala-Val-OH (CAS 131167-89-0)
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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