1-(3,4-Difluorophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-1-one CAS 898786-99-7
| CAS No. | 898786-99-7 |
| Molecular Formula | C17H22F2O3 |
| Molecular Weight | 312.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 1-(3,4-Difluorophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-1-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.
CATO supplies 1-(3,4-Difluorophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-1-one (CAS 898786-99-7), a certified reference material (molecular formula C17H22F2O3, MW 312.35 g/mol) for analytical method development and quality control.
Structurally, 1-(3,4-Difluorophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-1-one (C17H22F2O3) contains a steroid core, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 312.35 g/mol, it falls into the moderately-high-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C17H22F2O3 |
| Molecular Weight | 312.35 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 sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
Related Difluorophenyl Standards
- 1-(2,4-Difluorophenyl)-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-1-one (CAS 898786-85-1)
- 2-(2,4-Difluorophenyl)-2-propenyl-propanedioic acid diethyl ester (CAS 159276-62-7)
- 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)thiazole-2(3H)-thione (CAS 866153-90-4)
- Methyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 192574-28-0)
- N-(2,4-Difluorophenyl)-2-bromobenzamide (CAS 314025-94-0)
- 3-(5-{[(2,4-Difluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid (CAS 1142202-71-8)
- 1142209-39-9 3-(5-{[(3,4-Difluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)propanoic acid 9384AC C12H9F2N3O3S (CAS 1142209-39-9)
- (2,6-Difluorophenyl)[(1,3,4-thiadiazol-2-yl)carbamoyl]methyl acetate (CAS 866009-30-5)
Recommended Standards
- 1,1'-(Sulfinylbis(methylene))bis(1H-benzo[d][1,2,3]triazole) (CAS 300395-73-7)
- tert-Butyl (3S,4R)-3-amino-4-(3,4-difluorophenyl)piperidine-1-carboxylate (CAS 1969287-88-4)
- 2-(Isobutylthio)-5-(3-(trifluoromethyl)phenyl)pyrimidine (CAS 866136-18-7)
- 3-(2-Furyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 183536-48-3)
- 3-(Aminomethyl)-1H-pyrazole-4-carboxamide (CAS 2791274-03-6)
- N-methyl-2-(pyridin-2-yl)tetrahydrothiophene-2-carbothioamide (CAS 76732-75-7)
- 3-Hydroxypiperidin-4-one (CAS 73603-43-7)
- N-methoxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide (CAS 320418-41-5)
- 1-(2-Nitrophenyl)ethan-1-amine (CAS 100311-54-4)
- 3,4-Dichloro-N-(5,6-dimethyl-1-octyl-1H-1,3-benzodiazol-4-yl)benzene-1-sulfonamide (CAS 338955-41-2)
- 14357-05-2 2,2,2-trichloroacetate CHEBI:27455 trichloroacetate trichloroacetate anion trichloroacetate(1-) trichloroacetic acid, ion(1-) (CAS 14357-05-2)
- (2R,3S)-rel-2,3-Dibromo-1,4-butanediol (CAS 76818-94-5)
- tert-Butyl 3-methoxypyrrolidine-1-carboxylate (CAS 146257-03-6)
- Semaglutide Impurity 12 (CAS CATO-C4X-222612)
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