(E)-3-(((1-(allyloxy)naphthalen-2-yl)methylene)amino)-2-amino-6-(trifluoromethyl)pyrimidin-4(3H)-one CAS 866148-99-4
| CAS No. | 866148-99-4 |
| Molecular Formula | C19H15F3N4O2 |
| Molecular Weight | 388.34 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 (E)-3-(((1-(allyloxy)naphthalen-2-yl)methylene)amino)-2-amino-6-(trifluoromethyl)pyrimidin-4(3H)-one.
(E)-3-(((1-(allyloxy)naphthalen-2-yl)methylene)amino)-2-amino-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 866148-99-4) is a high-purity analytical reference standard with the molecular formula C19H15F3N4O2 and a molecular weight of 388.34 g/mol.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, (E)-3-(((1-(allyloxy)naphthalen-2-yl)methylene)amino)-2-amino-6-(trifluoromethyl)pyrimidin-4(3H)-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 388.34 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C19H15F3N4O2 |
| Molecular Weight | 388.34 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 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
- 1-Methyl-7-(1-methyl-1H-pyrazol-4-yl)-5-(4-(trifluoromethoxy)phenyl)-1H-benzo[d]imidazol-4(5H)-one (CAS 1799412-33-1)
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- Erlotinib impurity 131 (CAS CATO-C4X-1069131)
- 1-Benzyl-2-oxo-N-(4-(trifluoromethoxy)phenyl)-1,2-dihydropyridine-3-carboxamide (CAS 338755-14-9)
- 5-Amino-6-bromopyrimidin-4(1H)-one (CAS 1369139-49-0)
- 2-Isobutyl-4-methylthiazole (CAS 61323-24-8)
- Monoethyl itaconate (CAS 57718-07-7)
- 3-(5-(4-Chlorophenyl)furan-2-yl)-N-(4-fluorophenyl)propanamide (CAS 853311-61-2)
- (E)-1-(4-Benzylpiperazino)-4,4,5,5,5-pentafluoro-1-penten-3-one (CAS 866144-14-1)
- tert-Butyl ((S)-3-(cyclopent-1-en-1-yl)-1-((R)-2-methyloxiran-2-yl)-1-oxopropan-2-yl)carbamate (CAS 1629053-87-7)
- (S)-2-(((1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)methyl)(isopropyl)amino)acetic acid (CAS 1354016-60-6)
- Ursodeoxycholic Acid impurity 76 (CAS CATO-C4X-142276)
- N-(2,6-Di([1,1':3',1''-terphenyl]-5'-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide (CAS 2152685-54-4)
- Semaglutide impurity 249 (CAS CATO-C4X-2226249)
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