Diethyl 1-(4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl)-1H-1,2,3-triazole-4,5-dicarboxylate CAS 861210-43-7
| CAS No. | 861210-43-7 |
| Molecular Formula | C19H16F3N5O4 |
| Molecular Weight | 435.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Diethyl 1-(4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl)-1H-1,2,3-triazole-4,5-dicarboxylate is closely related to a flavonoid 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 Diethyl 1-(4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 861210-43-7), a certified reference material (molecular formula C19H16F3N5O4, MW 435.36 g/mol) for analytical method development and quality control.
Based on its molecular formula C19H16F3N5O4, Diethyl 1-(4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl)-1H-1,2,3-triazole-4,5-dicarboxylate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 435.36 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.
As a certified reference material (CRM), Diethyl 1-(4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl)-1H-1,2,3-triazole-4,5-dicarboxylate 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 | C19H16F3N5O4 |
| Molecular Weight | 435.36 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.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Related Diethyl Standards
- Diethyl 4-amino-6-ethyl-3-iodo-6H-thieno[2,3-b]pyrrole-2,5-dicarboxylate (CAS 1956335-63-9)
- diethyl 2-acetamido-2-(4-(1,3-dioxoisoindolin-2-yl)-3-hydroxybutyl)malonate (CAS 64442-12-2)
- 1,3-Diethyl 2-({2-[4-(furan-2-carbonyloxy)phenyl]pyrimidin-4-yl}methylidene)propanedioate (CAS 477870-98-7)
- Diethyl 2-[4-(2,2-Dicarboethoxypropyl)phenyl]-2-methyl Malonate (CAS 189287-72-7)
- diethyl 2-[{[(benzyloxy)carbonyl]amino}(3-chlorophenyl)methyl]malonate (CAS 1033463-15-8)
- Diethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-2-methylpropanedioate (CAS 154879-59-1)
- 3,5-diethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[(4-methylphenyl)methoxy]pyridine-3,5-dicarboxylate 400085-38-3 6H-953 (CAS 400085-38-3)
- 1,5-Diethyl (2E,4E)-4-{amino[4-(4-chlorophenyl)piperazin-1-yl]methylidene}-2-cyanopent-2-enedioate (CAS 338406-34-1)
Recommended Standards
- 4-[(Benzenesulfonyl)methyl]-6-[(4-bromophenyl)sulfanyl]-2-methylpyrimidine (CAS 338960-48-8)
- Ethyl 2-(2,2,3,3,4,4,4-heptafluorobutanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 300860-41-7)
- 4-[(4-Bromophenyl)sulfanyl]-6-(methanesulfonylmethyl)-2-phenylpyrimidine (CAS 338967-63-8)
- Morpholine Impurity 6 (CAS CATO-C4X-31686)
- 7-Bromo-5-fluoro-3,4-dihydroisoquinolin-1(2H)-one (CAS 1341674-79-0)
- tert-Butyl 5-amino-3-(1-(tert-butoxycarbonyl)piperidin-4-yl)-1H-indazole-1-carboxylate (CAS 2577379-42-9)
- N-Acetyl-2-methyl-3,5-dinitroanilin (CAS 3484-26-2)
- 1-(Tetrahydro-2H-pyran-4-yl)piperidin-3-amine dihydrochloride (CAS 2361636-02-2)
- 1-(4-Chlorophenyl)-3-(1-(3-nitrobenzoyl)-1H-pyrazol-3-yl)pyridazin-4(1H)-one (CAS 318498-05-4)
- Methyl 2-((5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl)thio)acetate (CAS 1105226-00-3)
- 6-(trifluoromethyl)quinazoline-4-carboxylic acid (CAS 1784635-02-4)
- (1r)-1-[4-(phenylsulfanyl)phenyl]ethan-1-ol (CAS 1344935-51-8)
- (R)-Norapocodeine (1.0mg/ml in Acetonitrile) (CAS 478-77-3)
- (10-31)Semaglutide (CAS CATO-C4X-2226283)
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