3-benzyl-7-butyl-8-(chloromethyl)-3,7-dihydro-1H-purine-2,6-dione CAS 848658-76-4
| CAS No. | 848658-76-4 |
| Molecular Formula | C17H21ClN4O2 |
| Molecular Weight | 348.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-benzyl-7-butyl-8-(chloromethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 848658-76-4) is a high-purity analytical reference standard with the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol.
3-benzyl-7-butyl-8-(chloromethyl)-3,7-dihydro-1H-purine-2,6-dione (C17H21ClN4O2) 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C17H21ClN4O2 |
| Molecular Weight | 348.83 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Recommended Standards
- 2-Chloro-N-[3-cyano-4,5-bis(thiophen-2-yl)furan-2-yl]acetamide (CAS 568551-24-6)
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- 2-Chloro-1-(3-(naphthalen-2-yl)-5-phenyl-4,5-dihydro-1h-pyrazol-1-yl)ethan-1-one (CAS 380196-86-1)
- 4-(5-((2-Chloro-6-fluorobenzyl)thio)-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine (CAS 482640-08-4)
- Ethyl 2-cyano-3-methylbut-2-enoate (CAS 759-58-0)
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- Hexadec-15-enoic acid (CAS 4675-57-4)
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- 3-(2-Chloro-4,6-dimethylphenoxy)pyrrolidinehydrochloride (CAS 1220035-55-1)
- 2-(4-Cyano-3-fluoro-phenoxy)-propionic acid tert-butyl ester (CAS 445294-66-6)
- Peptide Impurity 15 (CAS 1227750-69-7)
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