(2S,4S)-1-(tert-butoxycarbonyl)-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid CAS 686766-53-0
| CAS No. | 686766-53-0 |
| Molecular Formula | C16H20ClNO5 |
| Molecular Weight | 341.79 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.
(2S,4S)-1-(tert-butoxycarbonyl)-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid (CAS 686766-53-0), molecular formula C16H20ClNO5 and molecular weight 341.79 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (2S,4S)-1-(tert-butoxycarbonyl)-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid (C16H20ClNO5) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C16H20ClNO5 |
| Molecular Weight | 341.79 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (2S,4S)-1-(tert-butoxycarbonyl)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid (CAS 686766-56-3)
- (4Z)-4-{[(4-chlorophenyl)amino]methylidene}-3-ethoxy-1-phenyl-4,5-dihydro-1H-pyrazol-5-one (CAS 338750-93-9)
- (2S,4S)-1-(tert-Butoxycarbonyl)-4-(2-chloro-phenoxy)-2-pyrrolidinecarboxylic acid (CAS 869682-11-1)
- (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl phenylcarbamate (CAS 318248-39-4)
- 6-Bromo-2-cyclopropylisoindolin-1-one (CAS 1245649-56-2)
- 6-Bromo-2-(trimethylsilyl)furo[3,2-b]pyridine (CAS 1131335-72-2)
- Methyl Picolinimidate (CAS 19547-38-7)
- (R)-N-Isobutylpiperidin-3-amine dihydrochloride (CAS 1332765-61-3)
- 3-chloroquinoline-7-sulfonyl chloride (CAS 1956371-35-9)
- (R)-2-(3-(tert-butylamino)-2-hydroxypropoxy)benzonitrile hydrochloride (CAS 22972-95-8)
- N-(1-acetyl-3,3-dimethylindolin-6-yl)-2-((pyridin-4-ylmethyl)amino)nicotinamide (CAS 453562-74-8)
- Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (CAS 2495165-33-6)
- Bazedoxifene Acetate Impurity 8 (CAS 1802552-31-3)
- Semaglutide impurity 229 (CAS CATO-C4X-2226229)
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