Butyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate CAS 500212-68-0
| CAS No. | 500212-68-0 |
| Molecular Formula | C29H31ClN2O7 |
| Molecular Weight | 555.02 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 Butyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate.
Butyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 500212-68-0), molecular formula C29H31ClN2O7 and molecular weight 555.02 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Butyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (C29H31ClN2O7) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C29H31ClN2O7 |
| Molecular Weight | 555.02 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 |
Related Butyl Standards
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Recommended Standards
- sec-Butyl 4-(4-chloro-3-nitrophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 1005086-95-2)
- 1-[3-[1-([1,1-Biphenyl]-3-ylmethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS 1380088-03-8)
- N-((2-benzyl-3-phenylisoxazolidin-5-yl)methyl)-N'-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N'-methylmethanesulfonohydrazide (CAS 339276-56-1)
- Fluticasone Furoate EP Impurity G (CAS 785806-96-4)
- n-Methyl-2-(tetrahydro-2h-pyran-3-yl)ethan-1-amine (CAS 1342492-93-6)
- 5-(Methylsulfonyl)-4-(o-tolyl)thiazol-2-amine (CAS 1713714-42-1)
- 1,2-Dihydroacenaphthylene-1-carboxylic acid (CAS 6833-51-8)
- 2-(4-(4-Methoxyphenyl)piperazin-1-yl)ethan-1-amine dihydrochloride (CAS 1193389-08-0)
- 2-Chloro-4-(3-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 1226396-35-5)
- 2-(4-Isopropylphenyl)acetonitrile (CAS 4395-87-3)
- 2-Methyl-1-tetralone (CAS 1590-08-5)
- Phenanthren-3-amine (CAS 1892-54-2)
- Ethyl 4-hydroxy-2-(methoxymethyl)pyrimidine-5-carboxylate (CAS 69731-52-8)
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