4-(3-(4-Bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid CAS 313399-13-2
| CAS No. | 313399-13-2 |
| Molecular Formula | C19H17BrN2O3 |
| Molecular Weight | 401.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-(3-(4-Bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid.
4-(3-(4-Bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 313399-13-2), molecular formula C19H17BrN2O3 and molecular weight 401.25 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, bromine substitution, 4-(3-(4-Bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 401.25 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
As a certified reference material (CRM), 4-(3-(4-Bromophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid 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 | C19H17BrN2O3 |
| Molecular Weight | 401.25 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.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Related Bromophenyl Standards
- [5-(4-Bromophenyl)-3-methylisoxazol-4-yl]carbamic acid(R)-1-phenylethyl ester (CAS 1228690-37-6)
- 4-(5-(4-Bromophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 385406-13-3)
- Benzyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 295344-60-4)
- Ethyl 4-(3-bromophenyl)-6-hydroxy-2-phenyl-4,5-dihydropyrimidine-5-carboxylate (CAS 400078-27-5)
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- 1-(4-Bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide (CAS 866872-71-1)
- 1-(4-Bromophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazole-5-carboxylic acid (CAS 618383-03-2)
- 2-(3-Bromophenyl)-5-((2,6-dimethylmorpholino)methyl)benzo[d]oxazole (CAS 1706454-45-6)
Recommended Standards
- 4-(2-(2-(2-Bromo-4-(tert-butyl)phenoxy)acetyl)hydrazinyl)-4-oxobutanoic acid (CAS 816442-95-2)
- 3-((2-acetylphenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one (CAS 497061-10-6)
- 2-Bromo-N-(isoquinolin-5-yl)-4,5-dimethoxy-N-methylbenzamide (CAS 917596-87-3)
- Ethyl 2-(3-(benzyloxycarbonylamino)-4-bromobutanamido)acetate (CAS 959246-79-8)
- 4-(1,1,1-Trifluoro-2-hydroxypropan-2-yl)benzoic acid (CAS 917771-42-7)
- 5-Nitro-2-(2,2,2-trifluoro-ethoxy)-pyridine (CAS 72617-81-3)
- 4-Methoxy-3-methylbenzene-1,2-diamine (CAS 97433-22-2)
- N-Cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzene-1-sulfonamide (CAS 1285906-89-9)
- Bromo[(2,6-pyridinediyl)bis(3-methyl-1-imidazolyl-2-ylidene)]nickel Bromide (CAS 894102-11-5)
- N1-(2-chloro-4-nitrophenyl)hexane-1,6-diamine (CAS 361462-70-6)
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