Ethyl 2-(methylthio)-4-(3-(trifluoromethyl)phenoxy)pyrimidine-5-carboxylate CAS 551920-91-3
| CAS No. | 551920-91-3 |
| Molecular Formula | C15H13F3N2O3S |
| Molecular Weight | 358.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-(methylthio)-4-(3-(trifluoromethyl)phenoxy)pyrimidine-5-carboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 2-(methylthio)-4-(3-(trifluoromethyl)phenoxy)pyrimidine-5-carboxylate (CAS 551920-91-3), molecular formula C15H13F3N2O3S and molecular weight 358.34 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Ethyl 2-(methylthio)-4-(3-(trifluoromethyl)phenoxy)pyrimidine-5-carboxylate (C15H13F3N2O3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C15H13F3N2O3S |
| Molecular Weight | 358.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
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- 3,3-Bis(4-methylthio)benzylpent-4-en-1-ol (CAS 1384881-64-4)
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Recommended Standards
- Ethyl 2-((4-acetylphenyl)amino)-4-(trifluoromethyl)thiazole-5-carboxylate (CAS 937598-16-8)
- Ethyl 4-methyl-2-(3-(trifluoromethyl)benzamido)thiazole-5-carboxylate (CAS 476279-12-6)
- Chrysoobtusin (CAS 70588-06-6)
- Methyl 1-methyl-2-((2-oxo-2-(3-(trifluoromethyl)phenyl)ethyl)thio)-1H-imidazole-5-carboxylate (CAS 338793-15-0)
- 4-Fluoro-3-Bromoanthranilonitrile (CAS 1093951-76-8)
- 1-(4-(Trifluoromethyl)phenyl)cyclohexanecarbonitrile (CAS 944351-60-4)
- 2-(Difluoromethyl)-6-vinylpyrido[3,2-d]pyrimidin-4(3H)-one (CAS 2692637-88-8)
- N-(But-2-en-1-yl)pyrimidin-2-amine (CAS 151389-98-9)
- 3-(Morpholinomethyl)bicyclo[1.1.1]Pentan-1-amine (CAS 2303047-83-6)
- 6-(Phenylamino)-1,3,5-triazine-2,4-dithiol (CAS 13733-91-0)
- Bicyclo[2.2.2]octane-2-carbonitrile (CAS 6962-74-9)
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- 4,7-Dibromo-2-octyl-2H-benzo[d][1,2,3]triazole (CAS 960509-83-5)
- [Tyr0] Fibrinopeptide A, human (CAS 103226-11-5)
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