4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-iodophenyl)butan-1-one CAS 898785-58-5
| CAS No. | 898785-58-5 |
| Molecular Formula | C16H21IO3 |
| Molecular Weight | 388.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-iodophenyl)butan-1-one (CAS 898785-58-5) is a high-purity analytical reference standard with the molecular formula C16H21IO3 and a molecular weight of 388.24 g/mol.
4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-iodophenyl)butan-1-one (C16H21IO3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C16H21IO3 |
| Molecular Weight | 388.24 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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 | I-containing |
Related Dimethyl Standards
- 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(2-iodophenyl)butan-1-one (CAS 898785-54-1)
- 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-3-iodobutyrophenone (CAS 898785-56-3)
- n-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)-4-nitrobenzenesulfonamide (CAS 301332-17-2)
- 1-(2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethan-1-one (CAS 852905-13-6)
- N-(7,10-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-4-methoxybenzamide (CAS 866152-13-8)
- 2-(2-(2,5-Dimethyl-1H-pyrrol-1-yl)thiophen-3-yl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine (CAS 478258-90-1)
- 2-(3-(2,5-Dimethyl-1H-pyrrol-1-yl)thiophen-2-yl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine (CAS 439111-09-8)
- N-(4-{[(2,6-Dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-thiophenecarboxamide (CAS 302937-92-4)
Recommended Standards
- 4-(4-Bromophenyl)-N-(4-nitrobenzylidene)thiazol-2-amine (CAS 331962-79-9)
- 8-((3-Bromo-1H-pyrrolo[2,3-b]pyridin-1-yl)sulfonyl)quinoline (CAS 880770-31-0)
- 3-Bromo-N,N-dipropyl-5-(trifluoromethyl)benzenesulfonamide (CAS 957062-78-1)
- Ethyl 8-(2-iodophenyl)-8-oxooctanoate (CAS 898777-21-4)
- (3R)-3-fluoroazepane;hydrochloride (CAS 2387569-08-4)
- 3-(Methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1h-pyrazol-5-amine (CAS 1188304-89-3)
- 2-Chloro-4-(2-methoxyphenyl)pyrimidine (CAS 954236-31-8)
- 4-(Bromomethyl)-1-naphthonitrile (CAS 41014-20-4)
- 4-Bromo-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-c]pyridine (CAS 1220165-73-0)
- Tadalafil Impurity 172 (CAS CATO-C4X-1087172)
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- 1-(3,5-Difluoropyridin-2-yl)-N-methylmethanamine (CAS 1199776-49-2)
- Semaglutide impurity 57 (CAS 2773558-06-6)
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