[3-(Ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid CAS 879329-75-6
| CAS No. | 879329-75-6 |
| Molecular Formula | C16H16FNO4 |
| Molecular Weight | 305.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 305.30 g/mol gives [3-(Ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
[3-(Ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid (CAS 879329-75-6), molecular formula C16H16FNO4 and molecular weight 305.30 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of [3-(Ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid (C16H16FNO4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), [3-(Ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic 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 | C16H16FNO4 |
| Molecular Weight | 305.30 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 |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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 Ethoxycarbonyl Standards
- Ethyl 1-(2-(Ethoxycarbonyl)Phenyl)Piperidine-4-Carboxylate (CAS 773137-80-7)
- (4-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenyl)boronic acid (CAS 1150114-74-1)
- (3-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenyl)boronic acid (CAS 1218790-81-8)
- 4'-(Ethoxycarbonyl)-3,3'-difluoro-[1,1'-biphenyl]-2-carboxylic acid (CAS 1261955-65-0)
- 3-(Ethoxycarbonyl)-1-(4-ethylphenyl)-5-methyl-4,5-dihydro-1h-pyrazole-5-carboxylic acid (CAS 1264041-94-2)
- 3-(Ethoxycarbonyl)-1-[4-(propan-2-yl)phenyl]-4,5-dihydro-1h-pyrazole-5-carboxylic acid (CAS 1264042-48-9)
- 3-(Ethoxycarbonyl)-1-(2-ethylphenyl)-5-methyl-4,5-dihydro-1h-pyrazole-5-carboxylic acid (CAS 1264043-12-0)
- N-(Ethoxycarbonyl)-α-methyl-D-tryptophan Methyl Ester (CAS 170458-98-7)
Recommended Standards
- (1-(Tert-butyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)(morpholino)methanone (CAS 956368-93-7)
- 1-(2,4-Difluorobenzenesulfonyl)piperidine-4-carboxylic acid (CAS 848290-17-5)
- 2-(4-Fluorobenzyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 186299-00-3)
- 1-(2,5-Difluorobenzenesulfonyl)piperidine-4-carboxylic acid (CAS 847759-02-8)
- Cloflubicyne (CAS 224790-70-9)
- 2-((4-Amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-methoxyphenyl)acetamide (CAS 869068-31-5)
- (3-Propyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methanamine (CAS 1783686-22-5)
- 3-(Hexylthio)-4-methyl-5-(1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole (CAS 956741-83-6)
- L-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)- (CAS 127656-85-3)
- 6-(4-Fluorophenyl)-2-methylimidazo[2,1-b]thiazole-5-carbaldehyde (CAS 139389-29-0)
- 2-Bromo-1-(3-fluoro-4-(trifluoromethoxy)phenyl)ethan-1-one (CAS 1448246-57-8)
- 2-(Difluoromethyl)-6-methoxy-3-(trifluoromethoxy)pyridine-4-acetic acid (CAS 1806750-37-7)
- 7-Chloro-2-methyl-1,6-naphthyridine (CAS 1159812-54-0)
- Semaglutide Impurity 14(Discontinued,See CPTD788307 ) (CAS CATO-C4X-222614)
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