1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethan-1-one CAS 1279822-87-5
| CAS No. | 1279822-87-5 |
| Molecular Formula | C15H17F3N2O |
| Molecular Weight | 298.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethan-1-one (CAS 1279822-87-5) is a high-purity analytical reference standard with the molecular formula C15H17F3N2O and a molecular weight of 298.30 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 1-(1-Benzylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl)-2,2,2-trifluoroethan-1-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 298.30 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C15H17F3N2O |
| Molecular Weight | 298.30 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 DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Benzylhexahydropyrrolo Standards
- Ethyl 1-benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate (CAS 132414-78-9)
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- cis-1-Benzylhexahydropyrrolo[3,4-b]pyrrole (CAS 370879-92-8)
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