2-(3-(Trifluoromethyl)phenyl)hexahydro-1H-pyrrolo[3',4':4,5]isoxazolo[3,2-c][1,4]oxazine-1,3(2H)-dione CAS 1212136-07-6
| CAS No. | 1212136-07-6 |
| Molecular Formula | C15H13F3N2O4 |
| Molecular Weight | 342.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(3-(Trifluoromethyl)phenyl)hexahydro-1H-pyrrolo[3',4':4,5]isoxazolo[3,2-c][1,4]oxazine-1,3(2H)-dione (CAS 1212136-07-6), molecular formula C15H13F3N2O4 and molecular weight 342.27 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-(3-(Trifluoromethyl)phenyl)hexahydro-1H-pyrrolo[3',4':4,5]isoxazolo[3,2-c][1,4]oxazine-1,3(2H)-dione (C15H13F3N2O4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), 2-(3-(Trifluoromethyl)phenyl)hexahydro-1H-pyrrolo[3',4':4,5]isoxazolo[3,2-c][1,4]oxazine-1,3(2H)-dione 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 | C15H13F3N2O4 |
| Molecular Weight | 342.27 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- (R)-5-(Hydroxymethyl)-3-(2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2H)-yl)phenyl)oxazolidin-2-one (CAS 1112968-16-7)
- 2,2,2-Trifluoroethyl n-[2-(4-methoxyphenoxy)pyridin-3-yl]carbamate (CAS 1221725-36-5)
- Avatrombopag Impurity 15 (CAS CATO-C4X-223415)
- N-(6-Amino-1,2,3,4-Tetrahydro-3-Methyl-2,4-Dioxo-Pyrimidin-5-yl-2,2,2-Trifluoro-N-Benzyl-Acetamide (CAS 140379-38-0)
- 7,7''-Dibromo-9,9,9',9',9'',9''-hexaoctyl-9H,9'H,9''H-2,2':7',2''-terfluorene (CAS 646474-54-6)
- L-Prolinanilide Hydrochloride (CAS 151240-17-4)
- 2-(3-(Pyridin-4-yl)-1,2,4-oxadiazol-5-yl)ethan-1-amine (CAS 937654-61-0)
- 3-(4-Chlorophenyl)pentan-3-ol (CAS 76481-35-1)
- (6-Methyl-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetic acid (CAS 1105190-72-4)
- (2S,4S)-4-methyltetrahydro-2H-pyran-2-carboxylic acid (CAS 1644061-89-1)
- (2S,4S)-2-Amino-4-((tetrahydro-2H-pyran-4-yl)methyl)pentanedioic acid (CAS 1217649-24-5)
- 2-(5-Chlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2377991-42-7)
- 6-(1-Tosylpiperidin-2-yl)quinoline (CAS 1355178-67-4)
- Pancreatic Polypeptide (31-36), amide, human (CAS 74012-13-8)
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