(2S,4S)-1-(tert-butoxycarbonyl)-4-(3,5-dimethylphenoxy)pyrrolidine-2-carboxylic acid CAS 869682-05-3
| CAS No. | 869682-05-3 |
| Molecular Formula | C18H25NO5 |
| Molecular Weight | 335.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 335.39 g/mol gives (2S,4S)-1-(tert-butoxycarbonyl)-4-(3,5-dimethylphenoxy)pyrrolidine-2-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(2S,4S)-1-(tert-butoxycarbonyl)-4-(3,5-dimethylphenoxy)pyrrolidine-2-carboxylic acid (CAS 869682-05-3), molecular formula C18H25NO5 and molecular weight 335.39 g/mol, is a CATO reference standard with documented purity and traceability.
(2S,4S)-1-(tert-butoxycarbonyl)-4-(3,5-dimethylphenoxy)pyrrolidine-2-carboxylic acid (C18H25NO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), (2S,4S)-1-(tert-butoxycarbonyl)-4-(3,5-dimethylphenoxy)pyrrolidine-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 | C18H25NO5 |
| Molecular Weight | 335.39 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 1 |
Recommended Standards
- (2S,4S)-1-(tert-Butoxycarbonyl)-4-(2-ethylphenoxy)-2-pyrrolidinecarboxylic acid (CAS 869682-00-8)
- (2S,5S)-2-Benzyl 1-tert-butyl 5-hydroxypiperidine-1,2-dicarboxylate (CAS 934711-71-4)
- (2R,4R,5S)-4-tert-Butyl 2-methyl 5-(4-methoxyphenyl)pyrrolidine-2,4-dicarboxylate (CAS 603958-81-2)
- (3R,4S)-3-(1-Ethoxyethoxy)-2-oxo-4-phenyl-1-azetidinecarboxylic Acid 1,1-Dimethylethyl Ester (CAS 201856-57-7)
- N-(4-Methoxy-phenyl)-guanidine hydrochloride (CAS 73709-20-3)
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