(3S,4S)-benzyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate (S)-2-hydroxy-2-phenylacetate CAS 876068-45-0
| CAS No. | 876068-45-0 |
| Molecular Formula | C13H18N2O3 |
| Molecular Weight | N/A |
| 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,4S)-benzyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate (S)-2-hydroxy-2-phenylacetate (CAS 876068-45-0), a certified reference material (molecular formula C13H18N2O3C8H8O3, MW 402.45 g/mol) for analytical method development and quality control.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, (3S,4S)-benzyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate (S)-2-hydroxy-2-phenylacetate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 402.45 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C13H18N2O3 C8H8O3 |
| Molecular Weight | 402.45 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
Recommended Standards
- 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS 866462-51-3)
- Norglaucine (CAS 21848-62-4)
- 7-Hydroxy-3,4-dihydro-2H-1,3-benzoxazin-2-one (CAS 1783742-44-8)
- 1,1,3-Tribromoacetone (CAS 3475-39-6)
- 3,3-Dimethyl-1-(methylsulfonyl)piperidine (CAS 1341565-77-2)
- Nafamostat impurity 115 (CAS CATO-C4X-1332115)
- 2-[(4-methanesulfonylphenyl)amino]acetic acid (CAS 42288-25-5)
- 2-Benzyl-2-azabicyclo[2.2.2]octane-1-carbonitrile (CAS 1114824-04-2)
- 24,25-Epoxycholesterol (CAS 72542-49-5)
- [α-Glu](Sidechain trans-position)-Liraglutide (CAS CATO-C4X-199240)
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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