3-Methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one CAS 339101-61-0
| CAS No. | 339101-61-0 |
| Molecular Formula | C14H13F3N2OS |
| Molecular Weight | 314.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-Methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one (CAS 339101-61-0), a certified reference material (molecular formula C14H13F3N2OS, MW 314.33 g/mol) for analytical method development and quality control.
3-Methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one (C14H13F3N2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C14H13F3N2OS |
| Molecular Weight | 314.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 3-Methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one (CAS 339101-63-2)
- 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]propanoic acid (CAS 877825-70-2)
- 1-{[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-methyl}piperidine-4-carboxylic acid 1119451-22-7 8865AC C18H22N2O3 (CAS 1119451-22-7)
- 1-{[5-Methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}piperidine-3-carboxylic acid (CAS 1170791-18-0)
- 1-[(4-Methylphenyl)methoxy]-2-phenyl-1H-1,3-benzodiazole (CAS 338791-36-9)
- N-(2-Methylphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CAS 438030-43-4)
- 1-[(4-Methylphenyl)methoxy]-2-phenyl-1H-imidazo[4,5-b]pyridine (CAS 339009-96-0)
- 3-[(4-methylphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid (CAS 380574-24-3)
Recommended Standards
- 3-Phenyl-2-(propan-2-ylsulfanyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one (CAS 685107-82-8)
- 3-Methyl-2-((4-methylbenzyl)thio)-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 339101-58-5)
- 3-Thioxo-2-(3-(trifluoromethyl)phenyl)hexahydroimidazo[1,5-a]pyridin-1(5H)-one (CAS 60725-93-1)
- 3'-(4-Fluorophenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione (CAS 79962-58-6)
- (2S,4S)-1-(tert-butoxycarbonyl)-4-(3,5-dimethylphenoxy)pyrrolidine-2-carboxylic acid (CAS 869682-05-3)
- (1-(2-(Pyridin-4-yl)ethyl)piperidin-4-yl)methanamine (CAS 865075-31-6)
- 3-ethoxy-2,2-dimethyl-3-oxopropanoic acid (CAS 5471-77-2)
- 2-Methyl-1-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine (CAS 1707371-85-4)
- (R)-2-((tert-butoxycarbonyl)amino)-3-(quinoxalin-2-yl)propanoic acid (CAS 2349512-75-8)
- tert-Butyl (3R,4R)-3-amino-4-(3,4-difluorophenyl)piperidine-1-carboxylate (CAS 2241233-16-7)
- 2-(5,6,7,8-Tetrahydroimidazo[1,5-a]pyridin-1-yl)ethanamine (CAS 790599-70-1)
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- 4-(tert-Butyl)-5-isopropyl-1H-pyrazole (CAS 360070-81-1)
- [β-Asp]9-Semaglutide (CAS CATO-CPTD788605)
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