4-((1-((2,4-Dichlorophenyl)amino)-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy)benzoic acid CAS 58161-93-6
| CAS No. | 58161-93-6 |
| Molecular Formula | C20H19Cl2NO5 |
| Molecular Weight | 424.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-((1-((2,4-Dichlorophenyl)amino)-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy)benzoic acid (CAS 58161-93-6) is a high-purity analytical reference standard with the molecular formula C20H19Cl2NO5 and a molecular weight of 424.27 g/mol.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 4-((1-((2,4-Dichlorophenyl)amino)-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy)benzoic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 424.27 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C20H19Cl2NO5 |
| Molecular Weight | 424.27 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Dichlorophenyl Standards
- N-(3,4-dichlorophenyl)-2-(2-((2,2-dimethyl-2,3-dihydrobenzofuran-7-yl)oxy)acetyl)hydrazine-1-carboxamide (CAS 1024244-52-7)
- (4Z)-2-[(2,4-Dichlorophenyl)methoxy]-4-(phenylmethylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione (CAS 338396-49-9)
- 7-[5-(2,4-Dichlorophenyl)furan-2-yl]-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine (CAS 685107-24-8)
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- 3-(2,4-Dichlorophenyl)-4-(p-tolyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole (CAS 141079-03-0)
- 3-(2,6-Dichlorophenyl)-5-[(E)-2-{[2-(trifluoromethyl)phenyl]amino}ethenyl]-1,2-oxazole-4-carbonitrile (CAS 338402-67-8)
- (5E)-5-({4-[(2,4-dichlorophenyl)methoxy]phenyl}methylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 299909-27-6)
- 1-(3,4-Dichlorophenyl)-3-(4-((2-(diethylamino)propyl)amino)-6-methylpyrimidin-2-yl)guanidine (CAS 51386-98-2)
Recommended Standards
- N-(3-bromo-5-oxo-4-phenoxy-2,5-dihydrofuran-2-yl)-2-methylbenzenesulfonamide (CAS 126956-35-2)
- Dimethoxybis(pentafluorophenyl)silane (CAS 223668-68-6)
- 3-Amino-N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 497061-48-0)
- Canagliflozin Impurity 10 (CAS 1818268-45-9)
- 2-(6-Ethyl-4-methylquinolin-2-yl)guanidine (CAS 503831-71-8)
- Methyl 3-(N-(3-chloro-4-methoxyphenyl)sulfamoyl)-4-fluorobenzo[b]thiophene-2-carboxylate (CAS 932520-50-8)
- Methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate (CAS 2839564-13-3)
- 2-(2,4-Dichlorophenyl)quinazoline (CAS 1956377-56-2)
- 4-Chloro-6-(1h-pyrazol-1-yl)pyrimidin-2-amine (CAS 115930-71-7)
- tert-Butyl ((3R,4R)-4-methylpyrrolidin-3-yl)carbamate (CAS 107610-69-5)
- 6-Methoxy-2-methylisoindolin-1-one (CAS 497179-52-9)
- 4,5-Dichloro-2-(3-chlorophenyl)pyridazin-3(2h)-one (CAS 41931-11-7)
- 4-(2-Amino-2-methylpropanoyl)-2-piperazinonehydrochloride (CAS 1220034-89-8)
- Semaglutide impurity 36 (CAS CATO-C4X-222636)
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