Ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate CAS 292853-25-9
| CAS No. | 292853-25-9 |
| Molecular Formula | C21H24BrNO3 |
| Molecular Weight | 418.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 292853-25-9), molecular formula C21H24BrNO3 and molecular weight 418.32 g/mol, is a CATO reference standard with documented purity and traceability.
Ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (C21H24BrNO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C21H24BrNO3 |
| Molecular Weight | 418.32 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Ethyl Standards
- Butyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 5473-80-3)
- N-(2-Bromophenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 142529-63-3)
- (2-Bromophenyl)(4-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone (CAS 1448073-36-6)
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,3-dimethylphenyl)acetamide (CAS 334503-95-6)
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,5-dimethylphenyl)acetamide (CAS 332100-67-1)
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,6-dimethylphenyl)acetamide (CAS 334503-63-8)
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-ethylphenyl)acetamide (CAS 332154-66-2)
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Recommended Standards
- 543686-34-6 (3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-yl)-N-(4-(diethylamino)phenyl)formamide MFCD01567353 (CAS 543686-34-6)
- 3-[3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-[3-methyl-4-(propan-2-yl)phenyl]urea (CAS 329702-81-0)
- N,N'-((perfluoropropane-2,2-diyl)bis(4,1-phenylene))diacetamide (CAS 1104-76-3)
- 3-[1-(3-Aminophenyl)-3-tert-Butyl-1H-pyrazol-5-yl]-1-(2,3-dichlorophenyl)urea (CAS 227622-98-2)
- (5-Amino-1-phenyl-1H-pyrazol-4-yl)(thiophen-2-yl)methanone (CAS 618091-64-8)
- 6-Ethoxy-2,2-dimethyl-1,3-dihydroquinazolin-4-one (CAS 1879761-73-5)
- 1-(Difluoromethyl)-1h-indole-4-carbonitrile (CAS 1700081-44-2)
- 5-Chloro-1H-indole-2-carbohydrazide (CAS 20948-67-8)
- Nitazoxanide-d4 (CAS 1246819-17-9)
- (2-Chloro-6-fluorobenzyl)hydrazine dihydrochloride (CAS 1185299-08-4)
- Cyclohexyl-n-hexyl-β-D-maltoside (CAS 228579-27-9)
- 5-Ethyl-7-methyl-3H-pyrazolo[4,3-d][1,2,3]triazin-4(5H)-one (CAS 1239727-36-6)
- cis-1-amino-3-(bromomethyl)cyclobutanecarboxylic acid (CAS 779318-30-8)
- Tau Peptide (274-288) trifluoroacetate salt (CAS 330456-39-8)
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