Ethyl 4,4,4-trifluoro-3-oxo-2-(triphenyl-λ5-phosphanylidene)butanoate CAS 83961-56-2
| CAS No. | 83961-56-2 |
| Molecular Formula | C24H20F3O3P |
| Molecular Weight | 444.38 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 Ethyl 4,4,4-trifluoro-3-oxo-2-(triphenyl-λ5-phosphanylidene)butanoate.
Ethyl 4,4,4-trifluoro-3-oxo-2-(triphenyl-λ5-phosphanylidene)butanoate (CAS 83961-56-2), molecular formula C24H20F3O3P and molecular weight 444.38 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 4,4,4-trifluoro-3-oxo-2-(triphenyl-λ5-phosphanylidene)butanoate (C24H20F3O3P) contains a steroid core, a phosphonate group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.5, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 444.38 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C24H20F3O3P |
| Molecular Weight | 444.38 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 13.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1980 |
| Halogen Content | F-containing |
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Recommended Standards
- (E)-4-((2-((2-(Trifluoromethyl)phenyl)sulfonyl)hydrazono)methyl)-1,2-phenylene diacetate (CAS 2477727-85-6)
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- 2-(5,6-Difluoro-2-((3-(trifluoromethyl)benzoyl)imino)benzo[d]thiazol-3(2H)-yl)butanoic acid (CAS 1428623-14-6)
- N-[4-(2,4-Dichlorophenoxy)butyl]-4-(3-phenylpropoxy)aniline (CAS 1040686-69-8)
- 3-(3-Pyrrolinomethyl)benzophenone (CAS 898789-57-6)
- 3,4-Dimethoxypicolinaldehyde (CAS 142470-53-9)
- N-Nitroso-Sertraline (CAS 3006789-98-3)
- 6-(2,3-Dihydro-1H-inden-5-yl)-2,3,4,5-tetrahydropyridazin-3-one (CAS 866050-09-1)
- 7-(4-methoxyphenoxy)heptanehydroxamic acid (CAS 1176497-00-9)
- (1R,2S)-N1,N1-Dimethylcyclopentane-1,2-diamine (CAS 1884308-80-8)
- 2-Chloro-N-(4-(N-(4-methylpyrimidin-2-yl)sulfamoyl)phenyl)acetamide (CAS 64877-35-6)
- 4-(3-(1-Butylpiperidin-2-yl)pyridin-2-yl)morpholine (CAS 1352538-69-2)
- 2-(Benzofuran-3-yl)acetyl chloride (CAS 857283-98-8)
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