(S)-5-ethyl-2-fluoro-4-(pyrrolidin-2-yl)benzoic acid CAS 1270049-78-9
| CAS No. | 1270049-78-9 |
| Molecular Formula | C13H16FNO2 |
| Molecular Weight | 237.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 237.27 g/mol gives (S)-5-ethyl-2-fluoro-4-(pyrrolidin-2-yl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(S)-5-ethyl-2-fluoro-4-(pyrrolidin-2-yl)benzoic acid (CAS 1270049-78-9), molecular formula C13H16FNO2 and molecular weight 237.27 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (S)-5-ethyl-2-fluoro-4-(pyrrolidin-2-yl)benzoic acid (C13H16FNO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures (S)-5-ethyl-2-fluoro-4-(pyrrolidin-2-yl)benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H16FNO2 |
| Molecular Weight | 237.27 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (R)-4-ethyl-2-fluoro-5-(pyrrolidin-2-yl)benzoic acid (CAS 1269777-93-6)
- (R)-5-ethyl-2-fluoro-4-(pyrrolidin-2-yl)benzoic acid (CAS 1270206-07-9)
- 4-Fluorobenzyl piperidine-4-carboxylate (CAS 1267245-27-1)
- 1-(4-Fluorophenyl)-2-(3-hydroxypiperidin-1-yl)ethan-1-one (CAS 1282401-81-3)
- 6,6,7,7-TEtrafluoro-4-oxaheptane-1,2-diol (CAS 25385-68-6)
- C17:1 anandamide (CAS 1094209-17-2)
- 5-Chloro-2-methanesulfonylaniline (CAS 29124-54-7)
- Ethyl 3-amino-4-cyanobenzoate (CAS 1034470-00-2)
- 1,5-Dichloro-3-iodo-2-methylbenzene (CAS 1215795-58-6)
- (1-Isopentyl-1H-pyrazol-5-yl)boronic acid (CAS 847818-66-0)
- 1-(2-(2-Hydroxyethoxy)-2-(p-tolyl)ethyl)-3-(thiophen-2-ylmethyl)urea (CAS 1795414-23-1)
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- Cyclohexyl(6-methylpyridin-2-yl)methanamine (CAS 1337719-28-4)
- 3X Flag Peptide trifluoroacetate salt (CAS 402750-12-3)
Why CATO?
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