Ethyl 2-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-5-cyano-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetate CAS 338399-47-6
| CAS No. | 338399-47-6 |
| Molecular Formula | C16H13ClF3N5O4 |
| Molecular Weight | 431.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 431.75 g/mol gives Ethyl 2-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-5-cyano-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Ethyl 2-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-5-cyano-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetate (CAS 338399-47-6), a certified reference material (molecular formula C16H13ClF3N5O4, MW 431.75 g/mol) for analytical method development and quality control.
The molecular framework of Ethyl 2-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-5-cyano-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetate (C16H13ClF3N5O4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/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 | C16H13ClF3N5O4 |
| Molecular Weight | 431.75 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related Ethyl Standards
- 1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(3-(4-cyanophenoxy)phenyl)urea (CAS 1400989-25-4)
- 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-[(1E)-{[(4-methoxyphenyl)methoxy]amino}methylidene]urea (CAS 321433-46-9)
- 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]urea (CAS 866149-29-3)
- N-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yloxy)phenyl)-1H-1,2,4-triazol-5-amine (CAS 877874-59-4)
- 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethyl 4-fluorobenzoate (CAS 338415-48-8)
- Ethyl 2-(1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)-5-methylthiazole-4-carboxylate (CAS 1823182-96-2)
- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-methoxyphenyl)-1H-pyrrole-2-sulfonamide (CAS 321433-66-3)
- 3-(3-(3-(2-Chloro-4-nitrophenoxy)propyl)ureido)benzene-1-sulfonyl fluoride (CAS 25240-52-2)
Recommended Standards
- 5-Bromo-2-chloro-9,9-diphenyl-9H-fluorene (CAS 2356108-21-7)
- N-[p-(Acetylmercuric)phenyl]maleimide (CAS 117259-61-7)
- CAS 2315262-40-7 (CAS 2315262-40-7)
- N-(3-(3-chlorophenoxy)-5-nitrophenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide (CAS 321142-91-0)
- 2-(tert-Butyl)-4-fluoro-1H-indole (CAS 952664-89-0)
- (E)-N-Cycloheptyl-3-[4-(3-fluoropropoxy)phenyl]-2-propenamide (CAS 477871-24-2)
- Butyl (1R,2R)-2-Fluorocyclopropanecarboxylate (CAS 161582-46-3)
- 1-(4-Chlorobenzoyl)piperidine-3-carboxylic acid (CAS 436093-15-1)
- Halquinol (CAS 8067-69-4)
- rel-(1R,2S)-2-Methylcyclopropane-1-carbaldehyde (CAS 139765-03-0)
- 2-Bromo-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethan-1-one (CAS 1522497-40-0)
- 2,6-Dimethylphenyl 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetate (CAS 336173-47-8)
- 6-Ethynylbenzo[d]oxazol-2(3H)-one (CAS 1207594-32-8)
- Vialox Peptide(Pentapeptide-3) diacetate (CAS 725232-44-0)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com