1-(5-(4-Chlorophenyl)-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione CAS 489414-69-9
| CAS No. | 489414-69-9 |
| Molecular Formula | C21H16ClN5O2 |
| Molecular Weight | 405.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(5-(4-Chlorophenyl)-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-(5-(4-Chlorophenyl)-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione (CAS 489414-69-9) is a high-purity analytical reference standard with the molecular formula C21H16ClN5O2 and a molecular weight of 405.84 g/mol.
1-(5-(4-Chlorophenyl)-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione (C21H16ClN5O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
As a certified reference material (CRM), 1-(5-(4-Chlorophenyl)-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H16ClN5O2 |
| Molecular Weight | 405.84 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Related Chlorophenyl Standards
- 3-(2-Chlorophenyl)-N-[(1E)-1,2-dicyano-2-(2,5-dimethyl-1H-pyrrol-1-yl)eth-1-en-1-yl]-5-methyl-1,2-oxazole-4-carboxamide (CAS 861210-02-8)
- 2-(4-(3-Chlorophenyl)piperazin-1-yl)-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)acetamide (CAS 227958-10-3)
- 3-(4-Chlorophenyl)-N-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide (CAS 320417-61-6)
- N-(4-Chlorophenyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide (CAS 338975-87-4)
- (1E)-1-[6-(4-Chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]methanimine (CAS 338404-63-0)
- (E)-({5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylidene)amino 2-methylpropanoate (CAS 321553-21-3)
- 2-((5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,5-dimethoxyphenyl)acetamide (CAS 337354-51-5)
- Methyl 2-({5-[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazin-3-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate (CAS 478077-62-2)
Recommended Standards
- 5-Chloro-1-(4-nitrobenzyl)-3-phenyl-1H-indole-2-carboxamide (CAS 339098-47-4)
- [2,2'-Biquinoline]-4,4'-dicarboxylic acid, copper complex (CAS 76109-99-4)
- 2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide (CAS 850472-81-0)
- 2-(7-Chloro-4-oxoquinazolin-3(4H)-yl)-N-(4-phenoxyphenyl)acetamide (CAS 618444-17-0)
- (4-Bromobut-1-en-1-yl)benzene (CAS 7515-41-5)
- 6-Chloroisoindolin-1-one (CAS 58083-59-3)
- (S)-Cyclopropyl(3-fluorophenyl)methanamine (CAS 844817-68-1)
- Loratadine Impurity 35 (CAS CATO-C4X-142635)
- 4-Isopropyl-1H-pyrazole-1-carboxamide (CAS 90008-48-3)
- Peramivir Impurity 92 (CAS CATO-C4X-183392)
- 5-Nitro-N-phenylpyridin-2-amine (CAS 6825-25-8)
- N-Methyl-1h-imidazole-4-ethanamine (CAS 673-50-7)
- 2-Amino-1-((S)-2-((benzyl(isopropyl)amino)methyl)piperidin-1-yl)propan-1-one (CAS 1354024-23-9)
- Semaglutide impurity 277 (CAS CATO-C4X-2226277)
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