(E)-3-((4S)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidin-2-yl)acrylic acid CAS 2228044-68-4
| CAS No. | 2228044-68-4 |
| Molecular Formula | C12H18FNO4 |
| Molecular Weight | 259.27 g/mol |
| 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.
(E)-3-((4S)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidin-2-yl)acrylic acid (CAS 2228044-68-4) is a high-purity analytical reference standard with the molecular formula C12H18FNO4 and a molecular weight of 259.27 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, (E)-3-((4S)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidin-2-yl)acrylic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 259.27 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 | C12H18FNO4 |
| Molecular Weight | 259.27 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, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (E)-3-((4R)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidin-2-yl)acrylic acid (CAS 2227982-72-9)
- (R)-2-((tert-butoxycarbonyl)amino)-2-(3-fluorobicyclo[1.1.1]Pentan-1-yl)acetic acid (CAS 2201785-56-8)
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- (S)-2-((tert-butoxycarbonyl)amino)-2-(3-fluorobicyclo[1.1.1]Pentan-1-yl)acetic acid (CAS 2020350-49-4)
- 5-Chloro-2-(trifluoromethoxy)benzonitrile (CAS 1092461-25-0)
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