Ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate CAS 494861-39-1
| CAS No. | 494861-39-1 |
| Molecular Formula | C16H15BrF3N3O2 |
| Molecular Weight | 418.21 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 Ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.
Ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS 494861-39-1), molecular formula C16H15BrF3N3O2 and molecular weight 418.21 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H15BrF3N3O2, Ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 418.21 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C16H15BrF3N3O2 |
| Molecular Weight | 418.21 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
Related Ethyl Standards
- 1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 956754-06-6)
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- (2-Bromophenyl)(4-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone (CAS 1448073-36-6)
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,3-dimethylphenyl)acetamide (CAS 334503-95-6)
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,5-dimethylphenyl)acetamide (CAS 332100-67-1)
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Recommended Standards
- 1-[4-(Benzyloxy)-3-fluorophenoxy]-2-bromo-4-nitrobenzene (CAS 478039-83-7)
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- Metaraminol Impurity 25 HCl (CAS 6209-47-8)
- [2,3,5,6-tetrafluoro-4-(trideuteriomethoxymethyl)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CAS 1386987-86-5)
- 2-(4-Bromo-3-fluorophenyl)propan-2-amine hydrochloride (CAS 1314781-26-4)
- 1-(4-Chlorophenyl)but-3-en-1-amine (CAS 849612-24-4)
- 6-Bromo-N-(6-methoxy-4-methylquinolin-8-yl)hexanamide (CAS 75464-75-4)
- 2-(3,4-Dimethoxyphenyl)-1H-indole (CAS 59816-56-7)
- tert-Butyl 3-((3-bromobenzyl)amino)pyrrolidine-1-carboxylate (CAS 887578-25-8)
- 2-{[(4-bromophenyl)sulfanyl]methyl}-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine (CAS 796067-65-7)
- 19775-48-5 C32H49NO4 Daphmacrine W1193 (CAS 19775-48-5)
- Phenanthren-3-amine (CAS 1892-54-2)
- 2-(5-Mercapto-1,3,4-oxadiazol-2-yl)phenol (CAS 29638-33-3)
- Pheromone Biosynthesis Activating Neuropeptide (Helicoverpa assulta, Heliothis zea) (CAS 122071-54-9)
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