Ethyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate CAS 503591-63-7
| CAS No. | 503591-63-7 |
| Molecular Formula | C27H27ClN2O7 |
| Molecular Weight | 526.97 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Ethyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 503591-63-7) is a high-purity analytical reference standard with the molecular formula C27H27ClN2O7 and a molecular weight of 526.97 g/mol.
Ethyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (C27H27ClN2O7) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, 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.
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 | C27H27ClN2O7 |
| Molecular Weight | 526.97 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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- 3-(6-Bromoimidazo[1,2-b]pyridazin-2-yl)benzonitrile (CAS 1263284-55-4)
- 1-(Bromomethyl)-1,3-dimethylcyclobutane (CAS 2106452-76-8)
- Z-Trp-OSu (CAS 50305-28-7)
- Methyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate (CAS 320423-96-9)
- 1-Methyl-5-(trifluoromethyl)-1,3-dihydro-2H-benzo[d]imidazole-2-thione (CAS 7341-87-9)
- 1-(4-methylphenyl)butan-2-amine (CAS 147702-26-9)
- Ethyl [1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 1864014-92-5)
- Xenopsin-Related Peptide 2 (XP-2) (H-9340.0005) (CAS 117442-29-2)
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