1-(tert-Butyl) 2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate CAS 647857-39-4
| CAS No. | 647857-39-4 |
| Molecular Formula | C11H18FNO4 |
| Molecular Weight | 247.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 247.26 g/mol gives 1-(tert-Butyl) 2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-(tert-Butyl) 2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate (CAS 647857-39-4), molecular formula C11H18FNO4 and molecular weight 247.26 g/mol, is a CATO reference standard with documented purity and traceability.
1-(tert-Butyl) 2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate (C11H18FNO4) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C11H18FNO4 |
| Molecular Weight | 247.26 g/mol |
| Appearance | 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, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (2R,4S)-2-(1-Boc-4-fluoro-2-pyrrolidinyl)acetic Acid (CAS 441716-22-9)
- (2R,5R)-1-[(tert-butoxy)carbonyl]-5-fluoropiperidine-2-carboxylic acid (CAS 2165952-20-3)
- (2R,4S)-1-(tert-butoxycarbonyl)-4-fluoropiperidine-2-carboxylic acid (CAS 2165801-50-1)
- (2R,5S)-1-(tert-butoxycarbonyl)-5-fluoropiperidine-2-carboxylic acid (CAS 2165933-44-6)
- 2-(2-Benzylphenoxy)acetic acid (CAS 25141-45-1)
- Epinastine Impurity 6 (CAS 1211-06-9)
- Butyl Dichlorophosphite (CAS 10496-13-6)
- 1-(Cyclobutanecarbonyl)-3-(3,5-dichlorophenyl)imidazolidine-2,4-dione (CAS 67387-65-9)
- 2,4,6-Trimethyloxane-4-carboxylic acid (CAS 2091246-88-5)
- 6-Nitro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine hydrobromide (CAS 1351597-37-9)
- 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 3-(thiophene-2-carboxamido)benzoate (CAS 871554-62-0)
- (S)-(-)-2,2'-Bis(N-diphenylphosphinoamino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl (CAS 229177-79-1)
- 3,3-Dichloro-2,2-dimethylpropanoic acid (CAS 64855-18-1)
- Peptide 438 (CAS CATO-CPTD788438)
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