Methyl 5-chloro-6-oxo-1-(3-(trifluoromethyl)benzyl)-1,6-dihydropyridine-3-carboxylate CAS 400087-45-8
| CAS No. | 400087-45-8 |
| Molecular Formula | C15H11ClF3NO3 |
| Molecular Weight | 345.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 5-chloro-6-oxo-1-(3-(trifluoromethyl)benzyl)-1,6-dihydropyridine-3-carboxylate (CAS 400087-45-8), molecular formula C15H11ClF3NO3 and molecular weight 345.70 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 5-chloro-6-oxo-1-(3-(trifluoromethyl)benzyl)-1,6-dihydropyridine-3-carboxylate (C15H11ClF3NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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.
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.
As a certified reference material (CRM), Methyl 5-chloro-6-oxo-1-(3-(trifluoromethyl)benzyl)-1,6-dihydropyridine-3-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C15H11ClF3NO3 |
| Molecular Weight | 345.70 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 1-(2-Chloro-4-nitrophenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (CAS 1018127-25-7)
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- Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzoate (CAS 105626-86-6)
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- 2-(3-(6-Chloro-4-(trifluoromethyl)pyridin-2-yl)phenoxy)propanoic acid (CAS 1311278-53-1)
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Recommended Standards
- Methyl 5-chloro-2-oxo-1-(4-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carboxylate (CAS 338977-65-4)
- Methyl 5-chloro-6-oxo-1-(4-(trifluoromethyl)benzyl)-1,6-dihydropyridine-3-carboxylate (CAS 937602-45-4)
- Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)acetate (CAS 478041-38-2)
- N-[6-Chloro-4-(trifluoromethyl)-2-pyridyl]-N'-(3-methoxyphenyl)urea (CAS 256471-20-2)
- (2E)-1-(3-Chlorophenyl)-3-(4-methylphenyl)prop-2-en-1-one (CAS 1370425-83-4)
- Imiquimod USP Related Compound A (CAS 99010-24-9)
- N-((4S)-4-methoxypyrrolidin-3-yl)-4-methylthiazole-5-carboxamide (CAS 1217989-02-0)
- 3-[(4-Bromophenyl)methyl]-5-chloro-1,2,4-thiadiazole (CAS 1221342-57-9)
- Methyl 3-chloro-3-(4-nitrophenyl)propanoate (CAS 408504-91-6)
- 2-Thioxo-2,3,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-4(5H)-one (CAS 16372-06-8)
- Gefitinib D8 (CAS 857091-32-8)
- Ethyl 3-(2-methoxyphenyl)-3-oxopropanoate (CAS 41607-95-8)
- Benzyl (R)-4-amino-3,3-dimethylpyrrolidine-1-carboxylate (CAS 2380852-90-2)
- Cholecystokinin Octapeptide (1-5) (desulfated) (CAS 121880-96-4)
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