Methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate CAS 126111-11-3
| CAS No. | 126111-11-3 |
| Molecular Formula | C6H10FNO2 |
| Molecular Weight | 147.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 147.15 g/mol gives Methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate (CAS 126111-11-3), molecular formula C6H10FNO2 and molecular weight 147.15 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate (C6H10FNO2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 147.15 g/mol, it falls into the low-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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C6H10FNO2 |
| Molecular Weight | 147.15 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 5-Fluoropiperidine-3-carboxylic acid (CAS 1206678-30-9)
- Methyl (2S,4S)-4-fluoropyrrolidine-2-carboxylate (CAS 126111-12-4)
- 1-amino-4-fluoro-1H-pyrrole-2-carboxamide (CAS 1204246-86-5)
- (5R)-rel-5-(Fluoromethyl)pyrrolidine-2-carboxylic acid (CAS 1301204-77-2)
- 6-(Difluoromethylene)-2-azabicyclo[2.2.1]Heptan-3-one (CAS 640897-14-9)
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