3-Ethyl-3,9-dihydro-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]-1H-purine-2,6-dione CAS 752222-83-6
| CAS No. | 752222-83-6 |
| Molecular Formula | C21H21F3N6O2 |
| Molecular Weight | 446.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Ethyl-3,9-dihydro-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]-1H-purine-2,6-dione is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-Ethyl-3,9-dihydro-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]-1H-purine-2,6-dione (CAS 752222-83-6), a certified reference material (molecular formula C21H21F3N6O2, MW 446.43 g/mol) for analytical method development and quality control.
The molecular framework of 3-Ethyl-3,9-dihydro-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]-1H-purine-2,6-dione (C21H21F3N6O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C21H21F3N6O2 |
| Molecular Weight | 446.43 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.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
Related Ethyl Standards
- Ethyl 1,6-dihydro-1-[(4-methoxyphenyl)methyl]-5-[[(trifluoromethyl)sulfonyl]oxy]-3-cyclopentapyrazolecarboxylate (CAS 2792144-23-9)
- N-[2,3-Dihydro-1,3-dioxo-2-(2-pyridinyl)-1H-benz[de]isoquinolin-6-yl]acetamide (CAS 4931-97-9)
- Methyl 1,4-Dihydro-2,6-dimethyl-4-(2-trifluoromethyl)phenyl-pyridine-5-carboxylate-3-phenylmethyl Carboxamide (CAS 887407-01-4)
- 6-Phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CAS 24051-08-9)
- Dihydro Normorphine 3-O-β-D-Glucuronide (CAS 491847-30-4)
- Dihydro Normorphine 6-O-β-D-Glucuronide (CAS 561323-10-2)
- 6-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(2-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 625376-82-1)
- 2,3-Dihydro-1H-pyrrolo[3,2-b]quinoline (CAS 34086-61-8)
Recommended Standards
- Lisinopril Impurity 14 (CAS CATO-C4X-168114)
- 4-(2H-1,3-Benzodioxol-5-yl)-2-[(E)-2-(2-fluorophenyl)ethenyl]-5-oxo-5H-indeno[1,2-b]pyridine-3-carbonitrile (CAS 866142-83-8)
- Lisinopril Impurity 13 (CAS CATO-C4X-168113)
- 4-(2H-1,3-Benzodioxol-5-yl)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-oxo-5H-indeno[1,2-b]pyridine-3-carbonitrile (CAS 866136-03-0)
- 1-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonyl)-4-phenylpiperazine (CAS 344277-92-5)
- Nivasorexant (CAS 1435480-40-2)
- ((2R,3S,4R,5R)-5-(8-Amino-3H-imidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate (CAS 61925-59-5)
- 2-{[(benzoylamino)carbothioyl]amino}acetic acid (CAS 7245-61-6)
- N-Carbamoyl-2-(2,6-dichlorophenyl)acetimidamide hydrochloride (CAS 63504-15-4)
- Alectinib Impurity 85 (CAS CATO-C4X-283685)
- 4-Chloro-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (CAS 338773-48-1)
- 2-({2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-naphthyl}methylene)malononitrile (CAS 478064-73-2)
- BDTTh48-2Sn (CAS 1402460-13-2)
- Palmitoyl Tripeptide-1 TFA salt (CAS 2803375-47-3)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com