2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one CAS 861209-70-3
| CAS No. | 861209-70-3 |
| Molecular Formula | C13H15ClF3N3O |
| Molecular Weight | 321.73 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one (C13H15ClF3N3O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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.
CATO supplies 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one (CAS 861209-70-3), a certified reference material (molecular formula C13H15ClF3N3O, MW 321.73 g/mol) for analytical method development and quality control.
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 | C13H15ClF3N3O |
| Molecular Weight | 321.73 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- 1-[4-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperazin-1-yl]-ethanone (CAS 1311278-95-1)
- 1-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperidine-4-carboxylic acid amide (CAS 1311280-28-0)
- 4-[(1E)-{[(2-chloro-4-fluorophenyl)methoxy]imino}methyl]-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 338392-25-9)
- N-(4-chloro-3-(trifluoromethyl)phenyl)-2-(piperazin-1-yl)acetamide (CAS 900641-70-5)
- 2-[(3-chloro-2-fluorobenzyl)thio]-5-(trifluoromethyl)pyridine (CAS 259655-18-0)
- 3-(5-Chloro-2-oxobenzo[d]oxazol-3(2H)-yl)-N-(5-methylisoxazol-3-yl)propanamide (CAS 902254-61-9)
- 4-(5-(2-Chloro-4-nitrophenyl)furan-2-yl)thiazol-2-amine (CAS 886494-16-2)
- 4-(5-(4-Chloro-2-nitrophenyl)furan-2-yl)thiazol-2-amine (CAS 886494-18-4)
Recommended Standards
- 1-(Benzo[d][1,3]dioxol-5-yl)-3-((3-chloro-4-fluorophenyl)amino)propan-1-one (CAS 883794-86-3)
- Flamprop M (CAS 90134-59-1)
- 4-(4-chlorophenyl)-2-((4-fluorophenyl)amino)-4-oxobutanoic acid (CAS 1008018-98-1)
- Flamprop (free acid) (CAS 58667-63-3)
- (S)-2-Amino-3-(3-fluoropyridin-4-yl)propanoic acid (CAS 1270152-20-9)
- 5-Amino-4-(sec-butyl)-1H-pyrazol-3(2H)-one (CAS 857988-45-5)
- 2-[2-(cyclopentylsulfanyl)pyrimidin-5-yl]ethan-1-amine (CAS 1565737-23-6)
- 2-([1,1'-Biphenyl]-4-yl)-N-((1-isonicotinoylpiperidin-4-yl)methyl)acetamide (CAS 1396794-80-1)
- Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine (CAS 851870-89-8)
- 2,6-Dicyanatoanthracene-9,10-dione (CAS 143814-17-9)
- 4-chloro-5,6-dimethyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidine (CAS 1146290-49-4)
- 1-Bromo-3,4-difluoro-2-methoxy-5-methylbenzene (CAS 1783499-15-9)
- 2,5-Difluoro-3-methylbenzyl bromide (CAS 1804417-86-4)
- Semaglutide impurity 48 (CAS CATO-C4X-222648)
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