Diethyl ((4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl)phosphonate CAS 54813-89-7
| CAS No. | 54813-89-7 |
| Molecular Formula | C15H20BrN2O4P |
| Molecular Weight | 403.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Diethyl ((4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl)phosphonate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a phosphate ester group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Diethyl ((4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl)phosphonate (CAS 54813-89-7) is a high-purity analytical reference standard with the molecular formula C15H20BrN2O4P and a molecular weight of 403.21 g/mol.
Based on its molecular formula C15H20BrN2O4P, Diethyl ((4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl)phosphonate contains a nitrogen-containing heterocyclic scaffold, an amide group, a phosphate ester group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 403.21 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C15H20BrN2O4P |
| Molecular Weight | 403.21 g/mol |
| Appearance | Off-white to pale 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) | 6.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Related Diethyl Standards
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- Diethyl 2-acetamido-2-(3-(1,3-dioxoisoindolin-2-yl)propyl)malonate (CAS 83544-57-4)
- Diethyl 5-((3-(ethoxycarbonyl)-4,5-dimethyl-1H-pyrrol-2-yl)methyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 6625-25-8)
- Diethyl 5-((4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl)methyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate (CAS 911-70-6)
- 1,3-Diethyl 2-{[(2-benzoyl-4-chlorophenyl)amino]methylidene}propanedioate (CAS 128832-34-8)
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Recommended Standards
- 6,7-Dichloro-2,4-bis(4-fluorophenyl)phthalazin-1(2H)-one (CAS 339009-77-7)
- 2-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 957002-81-2)
- Tributyl(5-methoxythiophen-2-yl)stannane (CAS 879480-43-0)
- 1-tert-Butyl 2-methyl 6-iodoindoline-1,2-dicarboxylate (CAS 1255098-64-6)
- Ethylmethyl-d3-amine (CAS 223459-64-1)
- 6-(Bromomethyl)-4-(difluoromethyl)-3-iodopyridin-2-amine (CAS 1805332-09-5)
- 2,2-Diphenyl-1,3-dioxolane (CAS 4359-34-6)
- Sulbactam Impurity 31 (CAS CATO-C4X-175631)
- 1-Benzyl 3-ethyl 3-allylpiperidine-1,3-dicarboxylate (CAS 1363166-44-2)
- (3-(6-Bromopyridin-2-yl)phenyl)boronic acid (CAS 2225172-27-8)
- 2-(Aminomethyl)-5-chloro-4-(difluoromethyl)pyridine-3-carboxylic acid (CAS 1805179-55-8)
- 2-(3-Methyl-4,5-dihydro-1H-pyrazol-1-yl)acetic acid (CAS 1134333-91-7)
- 6-Methyl-3-(phenylamino)-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5(1H)-one (CAS 1203148-43-9)
- Peptide Impurity 81 TFA (CAS CATO-CPTD788581)
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