(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-nitrobenzyl)pyrrolidine-2-carboxylic acid CAS 959581-83-0
| CAS No. | 959581-83-0 |
| Molecular Formula | C17H22N2O6 |
| Molecular Weight | 350.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-nitrobenzyl)pyrrolidine-2-carboxylic acid (CAS 959581-83-0) is a high-purity analytical reference standard with the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol.
Based on its molecular formula C17H22N2O6, (2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-nitrobenzyl)pyrrolidine-2-carboxylic acid contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 350.37 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H22N2O6 |
| Molecular Weight | 350.37 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°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 |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
Recommended Standards
- (2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-nitrobenzyl)pyrrolidine-2-carboxylic acid (CAS 959577-92-5)
- (2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-nitrobenzyl)pyrrolidine-2-carboxylic acid (CAS 959573-48-9)
- ({[(Benzyloxy)({[(methylsulfanyl)methanimidoyl]-amino})phosphoryl]oxy}methyl)benzene (CAS 50725-10-5)
- (E)-3-(3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylic acid (CAS 381214-65-9)
- 3-Fluoro-4-Methoxybenzoyl Chloride (CAS 3907-15-1)
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- 3-Methoxy-5-(1H-1,2,4-Triazol-1-Yl)Aniline (CAS 1220630-56-7)
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