4,4-Dimethyl-5'-[3-(trifluoromethyl)phenyl]-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone CAS 339011-76-6
| CAS No. | 339011-76-6 |
| Molecular Formula | C19H17F3N2O5 |
| Molecular Weight | 410.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4,4-Dimethyl-5'-[3-(trifluoromethyl)phenyl]-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone.
4,4-Dimethyl-5'-[3-(trifluoromethyl)phenyl]-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone (CAS 339011-76-6) is a high-purity analytical reference standard with the molecular formula C19H17F3N2O5 and a molecular weight of 410.34 g/mol.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 4,4-Dimethyl-5'-[3-(trifluoromethyl)phenyl]-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 410.34 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
As a certified reference material (CRM), 4,4-Dimethyl-5'-[3-(trifluoromethyl)phenyl]-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone 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 | C19H17F3N2O5 |
| Molecular Weight | 410.34 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Dimethyl Standards
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Recommended Standards
- 2-[(4-Aminophenyl)thio]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CAS 901212-02-0)
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- Triethoxy(1H,1H,2H,2H-nonafluorohexyl)silane (CAS 102390-98-7)
- 2-Acetoxy-4-methoxybenzoic acid (CAS 17336-11-7)
- (E)-2-(Hydroxyimino)-1-phenylpropan-1-one (CAS 17019-26-0)
- 6-Chloro-4-methylpyridazin-3(2H)-one (CAS 1834-27-1)
- (S)-4-Phenyl-3-(p-tolyl)oxazolidin-2-one (CAS 572923-05-8)
- 5H-Pyrrolo[2,3-d]pyrimidin-4-amine (CAS 13510-11-7)
- Benzyl (4-mercaptocyclohexyl)carbamate (CAS 1353983-26-2)
- 3’-Hydroxy-3’-O-methoxymethyl Repaglinide Ethyl Ester(Mixture of Diastereomers) (CAS 1276362-58-3)
- (Z)-4-Oxo-4-((pyridin-3-ylmethyl)amino)but-2-enoic acid (CAS 7252-23-5)
- 1-Hydroxy-10-methylacridin-9(10H)-one (CAS 16584-54-6)
- D-Ala35-Tirzepatide (CAS CATO-CPTD788904)
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