(2S,4R)-4-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid CAS 1049981-46-5
| CAS No. | 1049981-46-5 |
| Molecular Formula | C12H13F2NO2 |
| Molecular Weight | 241.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (2S,4R)-4-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(2S,4R)-4-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid (CAS 1049981-46-5), molecular formula C12H13F2NO2 and molecular weight 241.23 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (2S,4R)-4-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid (C12H13F2NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 241.23 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
CATO manufactures (2S,4R)-4-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H13F2NO2 |
| Molecular Weight | 241.23 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (2S,4R)-4-(3,4-Difluorobenzyl)-pyrrolidine-2-carboxylic acid (CAS 1049743-09-0)
- 1-(3,4-Difluorophenyl)piperidine-4-carboxylic acid (CAS 1059536-63-8)
- Piroxicam Impurity 28 (CAS 112391-26-1)
- 2-Amino-5,6-difluoroindan-2-carboxylic acid ethyl ester, 97% (CAS 1092447-71-6)
- 2-(2-(Trifluoromethoxy)phenyl)-1,3,4-oxadiazole (CAS 1427460-77-2)
- 1-Benzothiophen-7-ylacetonitrile (CAS 17381-53-2)
- 1-(2,3-Dihydro-1H-isoindol-2-yl)ethan-1-one (CAS 18913-38-7)
- (2-(1-Methyl-1H-pyrazol-4-yl)thiazol-4-yl)methanol (CAS 1216076-55-9)
- 2-(Difluoromethyl)-6-methylpyridin-3-amine (CAS 1708263-47-1)
- 1-Ethyl-6,7-dimethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 32932-16-4)
- 2-(Methylamino)-2-phenylethanol (CAS 27594-65-6)
- 2-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}benzoic acid (CAS 908334-12-3)
- Apixaban Impurity 30 (CAS 1686149-78-9)
- Peptide Impurity 09 X TFA Salt (CAS CATO-CPTD788809)
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