4-(4-Chlorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4-oxobutanoic acid CAS 1214797-41-7
| CAS No. | 1214797-41-7 |
| Molecular Formula | C16H18ClN3O3 |
| Molecular Weight | 335.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(4-Chlorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4-oxobutanoic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-(4-Chlorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4-oxobutanoic acid (CAS 1214797-41-7), a certified reference material (molecular formula C16H18ClN3O3, MW 335.79 g/mol) for analytical method development and quality control.
Structurally, 4-(4-Chlorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4-oxobutanoic acid (C16H18ClN3O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 335.79 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C16H18ClN3O3 |
| Molecular Weight | 335.79 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.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- 3-Benzoylcyclopentanecarboxylic acid (CAS 1401113-67-4)
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- trans-Octahydro-1H-isoindole (CAS 10479-63-7)
- 3-Chloro-4-(3-pyrrolinomethyl) benzophenone (CAS 898764-03-9)
- 2-(Difluoromethyl)-4-hydroxy-3-iodopyridine-5-acetonitrile (CAS 1807133-00-1)
- 3-Iodo-1-methyl-1H-indazol-7-amine (CAS 1337880-77-9)
- 2-(3,5-Diphenyl-1H-1,2,4-triazol-1-yl)-N-(p-tolyl)acetamide (CAS 332909-48-5)
- 1-Fluoro-4-iodo-2-nitrobenzene (CAS 364-75-0)
- (3S,5R)-3-Acetyl-5-ethyldihydrofuran-2(3H)-one (CAS 153655-38-0)
- Tirzepatide Impurity 24 X TFA Salt (CAS CATO-C4X-324024)
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