3-[6-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-pyridin-3-yl]-benzoic acid CAS 1311279-86-3
| CAS No. | 1311279-86-3 |
| Molecular Formula | C18H18F3N3O2 |
| Molecular Weight | 365.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-[6-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-pyridin-3-yl]-benzoic acid (CAS 1311279-86-3), molecular formula C18H18F3N3O2 and molecular weight 365.35 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-[6-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-pyridin-3-yl]-benzoic acid (C18H18F3N3O2) is characterized by a steroid 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.
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.
Physical & Chemical Properties
| Molecular Formula | C18H18F3N3O2 |
| Molecular Weight | 365.35 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Methyl Standards
- 4-[6-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-pyridin-3-yl]-benzoic acid (CAS 1208081-94-0)
- 4-[6-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-pyridin-3-yl]-benzamide (CAS 1208081-11-1)
- 3-Benzyl-4-((2-(piperazin-1-yl)ethyl)amino)-2H-chromen-2-one (CAS 947898-26-2)
- 4-(4-Benzyl-piperazin-1-yl)-piperidine-1-carboxylic acid tert-butyl ester (CAS 177276-39-0)
- 4-[6-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-pyridin-3-yl]-benzoic acid methyl ester (CAS 1208081-77-9)
- 3-[6-(4-Methyl-piperazin-1-yl)-5-trifluoromethyl-pyridin-3-yl]-benzoic acid methyl ester (CAS 1311278-77-9)
- 7-(Piperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CAS 106851-91-6)
- 4-(Piperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline (CAS 401567-74-6)
Recommended Standards
- 5-Oxo-5-[[6-[6-(2-pyridinyl)-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]amino]pentanoic acid (CAS 1233234-76-8)
- N-(2-(Cyclohex-1-en-1-yl)ethyl)-2-(4-(trifluoromethyl)phenyl)-2H-tetrazole-5-carboxamide (CAS 1396791-38-0)
- 4-azepan-1-yl-1,1,1-trifluoro-3-(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)but-3-en-2-one (CAS 152427-09-3)
- 2-((4-(Difluoromethoxy)phenyl)amino)-N-(furan-2-ylmethyl)thiazole-4-carboxamide (CAS 1105229-84-2)
- 5-Bromo-2-(hydroxymethyl)pyridine 1-oxide (CAS 638219-84-8)
- 6-Chloro-4-cyclopropoxypyridin-3-amine (CAS 1243470-66-7)
- Ethyl 3-ethyl[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate (CAS 1255147-46-6)
- 2-(4-Nitrophenyl)-5-(p-tolyl)-1,3,4-oxadiazole (CAS 62507-52-2)
- (S)-2-Amino-N-cyclopropyl-3-methyl-N-(4-methylbenzyl)butanamide (CAS 1307224-35-6)
- 4,4,5,5-Tetramethyl-2-(1-(phenylthio)ethyl)-1,3,2-dioxaborolane (CAS 66080-24-8)
- Fruquintinib Impurity 3 (CAS 854660-58-5)
- 3-(aminomethyl)-N-[(3-fluorophenyl)methyl]benzene-1-sulfonamide (CAS 1038725-38-0)
- 2-(3-Aminophenyl)-2H-benzo[e][1,3]oxazin-4(3H)-one (CAS 408508-64-5)
- Des-Ser32-Tirzepatide (CAS CATO-CPTD788942)
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