Methyl 1-{5-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-yl}-5-pentyl-1H-1,2,3-triazole-4-carboxylate CAS 866040-44-0
| CAS No. | 866040-44-0 |
| Molecular Formula | C22H26ClN5O2 |
| Molecular Weight | 427.93 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 1-{5-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-yl}-5-pentyl-1H-1,2,3-triazole-4-carboxylate (CAS 866040-44-0), molecular formula C22H26ClN5O2 and molecular weight 427.93 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, Methyl 1-{5-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-yl}-5-pentyl-1H-1,2,3-triazole-4-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 427.93 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C22H26ClN5O2 |
| Molecular Weight | 427.93 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Related Methyl Standards
- 2-(4-Chlorophenyl)-2-oxoethyl 1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate (CAS 477890-10-1)
- Ethyl 2-(4-(3-chlorophenyl)piperazin-1-yl)-5-(4-fluorophenyl)-1H-pyrrole-3-carboxylate (CAS 338406-24-9)
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Recommended Standards
- 1,3-Diiodo-2-methoxy-5-(trifluoromethyl)benzene (CAS 1356113-92-2)
- N-({1H,2H,5H,6H,10bH-[1,2]oxazolo[3,2-a]isoquinolin-2-yl}methyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide (CAS 339276-55-0)
- (2Z)-2-(4-Chlorobenzenesulfonyl)-3-{[4-(pyridin-2-ylsulfanyl)phenyl]amino}prop-2-enenitrile (CAS 1024823-50-4)
- 2-(Tert-butyl)-1'-(4-(4-chlorophenyl)thiazol-2-yl)-3',5-dimethyl-1'H,2H-[3,4'-bipyrazol]-5'-ol (CAS 246021-98-7)
- 3-([1,1'-Biphenyl]-4-yl(phenyl)phosphino)benzoic acid (CAS 62350-80-5)
- 2-Hydrazinyl-4-methylphenol (CAS 235759-30-5)
- 1-(2,5-Dimethylfuran-3-yl)-2,2,2-trifluoroethan-1-amine (CAS 1270360-84-3)
- 4-(Difluoromethyl)-3-fluoro-6-methoxy-2-(trifluoromethyl)pyridine (CAS 1805458-00-7)
- 3-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1,1,1-trifluoropropan-2-ol (CAS 477858-21-2)
- (1S,2S)-1,2-Bis(4-chlorophenyl)ethane-1,2-diol (CAS 325811-01-6)
- 1-(2-Fluoropyridin-4-yl)cyclopropane-1-carboxylic acid (CAS 1427021-97-3)
- 1-Ethyl-1H-1,3-benzodiazol-6-amine (CAS 1429042-97-6)
- 3,4-Dichloro-5-(trifluoromethoxy)benzaldehyde (CAS 1706430-32-1)
- Des-[Gly]31-Semaglutide (CAS CATO-C4X-2226156)
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