(3R,4R)-1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid CAS 455954-94-6
| CAS No. | 455954-94-6 |
| Molecular Formula | C16H20FNO4 |
| Molecular Weight | 309.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 309.33 g/mol gives (3R,4R)-1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies (3R,4R)-1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (CAS 455954-94-6), a certified reference material (molecular formula C16H20FNO4, MW 309.33 g/mol) for analytical method development and quality control.
Structurally, (3R,4R)-1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (C16H20FNO4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 309.33 g/mol, it falls into the moderately-high-molecular-weight range. 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), (3R,4R)-1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-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 | C16H20FNO4 |
| Molecular Weight | 309.33 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 1-Benzyl 3-ethyl 5-fluoropiperidine-1,3-dicarboxylate (CAS 1823995-53-4)
- (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium (CAS 836627-28-2)
- 1-(tert-Butoxycarbonyl)-3-(4-fluorophenyl)proline (CAS 1822537-16-5)
- (E)-5,5-dimethyl-3-(2-((3-(trifluoromethyl)phenyl)amino)vinyl)cyclohex-2-en-1-one (CAS 338759-32-3)
- N-methyloxetane-3-sulfonamide (CAS 1707583-10-5)
- 7-Methyl-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-amine (CAS 2097983-17-8)
- 1-{(R)-3-[(2-Hydroxy-ethyl)-methyl-amino]-piperidin-1-yl}-ethanone (CAS 1353966-81-0)
- tert-Butyl 4-{2-oxo-1H,2H,3H-imidazo-[4,5-b]pyridin-1-yl}piperidine-1-carboxylate (CAS 781649-87-4)
- 7-bromo-6-chloro-quinazoline (CAS 2387096-53-7)
- 6-(Chloromethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine (CAS 2306263-14-7)
- 2-(Difluoromethyl)-4-fluorophenol (CAS 1214326-61-0)
- Brivaracetam Impurity 126 (CAS CATO-C4X-2007126)
- Ethyl 5-amino-1,4-diphenyl-1H-pyrazole-3-carboxylate (CAS 1187172-27-5)
- Galanin (1-13)-Neuropeptide Y (25-36) amide (CAS 147138-51-0)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com