Ethyl 6-(3-fluorobenzyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate CAS 478064-86-7
| CAS No. | 478064-86-7 |
| Molecular Formula | C18H18FN3O2 |
| Molecular Weight | 327.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Ethyl 6-(3-fluorobenzyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS 478064-86-7) is a high-purity analytical reference standard with the molecular formula C18H18FN3O2 and a molecular weight of 327.35 g/mol.
Based on its molecular formula C18H18FN3O2, Ethyl 6-(3-fluorobenzyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 327.35 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C18H18FN3O2 |
| Molecular Weight | 327.35 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- Flestolol (CAS 87721-62-8)
- 4-Cyclopropyl-5-(thiophen-2-ylmethyl)-4h-1,2,4-triazole-3-thiol (CAS 853723-98-5)
- 1-(3-Methoxy-1,2-thiazol-4-yl)ethan-1-one (CAS 1779856-07-3)
- L-lysine-6-<SUP>13</SUP>C dihydrochloride (CAS 1217466-44-8)
- 2-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-5-((6-methylheptyl)oxy)phenol (CAS 137759-38-7)
- cis-3-[2-(3-Methylphenyl)-2-oxoethyl]-cyclohexane-1-carboxylic acid (CAS 735275-06-6)
- 7-Benzyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one (CAS 859826-10-1)
- Trazodone Impurity 97 DIHCI (CAS CATO-C4X-177297)
- 3-(3,5-Difluorophenyl)isoxazolidine (CAS 2360950-32-7)
- 6-Bromo-2-(pyrrolidin-1-yl)quinoline (CAS 864866-59-1)
- (D-Trp32)-Neuropeptide Y (porcine) trifluoroacetate salt (CAS 153549-78-1)
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