3-[3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid CAS 913837-60-2
| CAS No. | 913837-60-2 |
| Molecular Formula | C16H16FNO3 |
| Molecular Weight | 289.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 289.30 g/mol gives 3-[3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-[3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid (CAS 913837-60-2), molecular formula C16H16FNO3 and molecular weight 289.30 g/mol, is a CATO reference standard with documented purity and traceability.
3-[3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid (C16H16FNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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 | C16H16FNO3 |
| Molecular Weight | 289.30 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, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Acetyl Standards
- 1-(2-Fluorophenyl)-4-(3-isopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CAS 1172520-68-1)
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- 4,5-Bis(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol (CAS 54543-38-3)
- 5-Acetyl-4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid (CAS 439120-58-8)
- N-(2-Fluorophenyl)-2-(4-hydroxyphenoxy)-N-methylpropanamide (CAS 256412-88-1)
- 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one (CAS 866142-79-2)
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Recommended Standards
- 3-(3,4-Dimethoxybenzenesulfonamido)propanoic acid (CAS 746655-80-1)
- 4-(2,4-Difluorophenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 380189-92-4)
- 2-β-D-Ribofuranosyl-4-thiazolecarboxylic Acid Ethyl Ester (CAS 95936-53-1)
- 2-{4-[5-(Trifluoromethyl)pyridin-2-yl]homopiperazin-1-yl}ethan-1-ol (CAS 646455-70-1)
- Tebufenozide-hydroxymethyl (CAS 166547-61-1)
- 3-Bromo-4-fluoro-5-iodobenzoic acid (CAS 1628539-97-8)
- 2-(2-Bromo-5-methoxyphenyl)acetic acid (CAS 86826-93-9)
- 2,5-Difluorobenzothiohydrazide 2,2,2-trifluoroacetate (CAS 1956363-93-1)
- Boc-Gly-OH-2-<SUP>13</SUP>C (CAS 145143-02-8)
- 3-[3-(morpholin-4-yl)propyl]-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one (CAS 1154199-13-9)
- 3-Chloro-1H-indazole-4-carbonitrile (CAS 1000341-39-8)
- 2-(Isopropyl((1-methylpyrrolidin-2-yl)methyl)amino)ethanol (CAS 1353985-85-9)
- [4-[2-[[(3-Ethyl-d5-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]carbamic Acid Ethyl Ester (CAS 1217029-88-3)
- Insulin Glulisine (CAS 207748-29-6)
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