1-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-dihydropyrimidin-4-one CAS 477888-17-8
| CAS No. | 477888-17-8 |
| Molecular Formula | C18H11ClF3N3O3 |
| Molecular Weight | 409.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 409.75 g/mol gives 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-dihydropyrimidin-4-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-dihydropyrimidin-4-one (CAS 477888-17-8), a certified reference material (molecular formula C18H11ClF3N3O3, MW 409.75 g/mol) for analytical method development and quality control.
Based on its molecular formula C18H11ClF3N3O3, 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-dihydropyrimidin-4-one contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 409.75 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-dihydropyrimidin-4-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H11ClF3N3O3 |
| Molecular Weight | 409.75 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related H Standards
- 4-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide (CAS 866137-33-9)
- 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl]ethoxy}-3-chloro-5-(trifluoromethyl)pyridine (CAS 955961-70-3)
- 1023519-27-8 4-[(2H-1,3-benzodioxol-5-yl)(4-methylpiperazin-1-yl)methyl]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one MS-11215 (CAS 1023519-27-8)
- 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-[1-(6-methylpyridin-2-yl)-1H-imidazole-4-carbonyl]piperazine (CAS 477890-24-7)
- Ethyl 3-[(1,3-benzodioxol-5-ylamino)sulfonyl]benzo[b]thiophene-2-carboxylate (CAS 941919-06-8)
- 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-(2,4,6-trimethylbenzenesulfonyl)piperazine (CAS 349624-04-0)
- 2-(2H-1,3-Benzodioxol-5-yl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid (CAS 1023480-30-9)
- 2-(2H-1,3-Benzodioxol-5-yl)-3-bromo-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CAS 866145-82-6)
Recommended Standards
- 1-(4-Chlorophenyl)-2,6-dioxo-N-(3-(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyrimidine-4-carboxamide (CAS 861212-24-0)
- 3-Chloro-2-({4-[(5-nitropyridin-2-yl)oxy]phenyl}methyl)-5-(trifluoromethyl)pyridine (CAS 338393-30-9)
- 5-Chloro-3-iodo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1h-pyrazolo[4,3-b]pyridine (CAS 2170597-67-6)
- 5-Benzyl-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 339030-07-8)
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