(3AR)-5-(2-hydroxyphenyl)-3a-methyl-6-[3-(trifluoromethyl)benzoyl]-octahydropyrrolo[2,3-b]pyrrol-2-one CAS 956964-50-4
| CAS No. | 956964-50-4 |
| Molecular Formula | C21H19F3N2O3 |
| Molecular Weight | 404.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 404.38 g/mol gives (3AR)-5-(2-hydroxyphenyl)-3a-methyl-6-[3-(trifluoromethyl)benzoyl]-octahydropyrrolo[2,3-b]pyrrol-2-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(3AR)-5-(2-hydroxyphenyl)-3a-methyl-6-[3-(trifluoromethyl)benzoyl]-octahydropyrrolo[2,3-b]pyrrol-2-one (CAS 956964-50-4), molecular formula C21H19F3N2O3 and molecular weight 404.38 g/mol, is a CATO reference standard with documented purity and traceability.
(3AR)-5-(2-hydroxyphenyl)-3a-methyl-6-[3-(trifluoromethyl)benzoyl]-octahydropyrrolo[2,3-b]pyrrol-2-one (C21H19F3N2O3) contains a steroid core, an amide 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. 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).
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.
As a certified reference material (CRM), (3AR)-5-(2-hydroxyphenyl)-3a-methyl-6-[3-(trifluoromethyl)benzoyl]-octahydropyrrolo[2,3-b]pyrrol-2-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H19F3N2O3 |
| Molecular Weight | 404.38 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- 7-(3-Fluorophenyl)-3-(3-(trifluoromethyl)benzyl)thieno[3,2-d]pyrimidin-4(3H)-one (CAS 1105232-83-4)
- [(3Z)-2-Oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indol-3-ylidene]amino 3-methylbutanoate (CAS 321429-89-4)
- (1-Amino-3-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)propyl)phosphinic acid (CAS 100924-69-4)
- 4-Hydroxy-1-methyl-N-(3-(trifluoromethyl)phenyl)-1H-thieno[3,2-c][1,2]thiazine-3-carboxamide 2,2-dioxide (CAS 303987-73-7)
- Methyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoate (CAS 1820579-45-0)
- Tert-butyl (3-(2-aminooxazol-4-yl)bicyclo[1.1.1]Pentan-1-yl)carbamate (CAS 1980053-55-1)
- 2-(Difluoromethyl)-3-fluoropyridine (CAS 1784569-86-3)
- 25-Hydroxy Vitamin D3 3,3'-Aminopropyl Ether (CAS 163018-26-6)
- N-((1-Ethyl-5-fluoro-1H-pyrazol-4-yl)methyl)-1,4-dimethyl-1H-pyrazol-5-amine hydrochloride (CAS 1856056-57-9)
- Ethyl[(4-ethylphenyl)(pyridin-3-yl)methyl]amine (CAS 1153290-71-1)
- N-Butan-2-Yl-1-[5-[(3',6'-Dihydroxy-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-5-Carbonyl)Amino]-2-Fluorophenyl]-N-Methylisoquinoline-3-Carboxamide (CAS 143934-15-0)
- Pomalidomide Impurity 15 (CAS 5054-59-1)
- Bacitracin Impurity M (CAS CATO-C4X-155313)
- Semaglutide impurity 65 (CAS CATO-C4X-222665)
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