2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 4-methylbenzoate CAS 338415-44-4
| CAS No. | 338415-44-4 |
| Molecular Formula | C20H21ClF3N3O2 |
| Molecular Weight | 427.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 4-methylbenzoate.
CATO supplies 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 4-methylbenzoate (CAS 338415-44-4), a certified reference material (molecular formula C20H21ClF3N3O2, MW 427.85 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 4-methylbenzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 427.85 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C20H21ClF3N3O2 |
| Molecular Weight | 427.85 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related chloro Standards
- N-(3-chloro-4-methoxybenzyl)-4-(3-(trifluoromethyl)phenyl)piperazine-1-carboxamide (CAS 866132-00-5)
- (2Z)-2-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-4-(methylsulfanyl)-3-oxobutanenitrile (CAS 1164480-54-9)
- (2Z)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-{[(3-methoxyphenyl)amino]methylidene}-3-oxobutanenitrile (CAS 251310-64-2)
- Ethyl 7-chloro-5-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 6324-16-9)
- 1-(5-Chloro-2-methylphenyl)-N-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS 890937-57-2)
- 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-17-0)
- 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-1-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860789-11-3)
- 2-[4-(6-Chloro-4-trifluoromethyl-pyridin-2-yl)-benzylidene]-malonic acid diethyl ester (CAS 1311279-32-9)
Recommended Standards
- 2-(4-Chlorobenzyl)-N-(3-(trifluoromethyl)benzyl)quinazolin-4-amine (CAS 303149-92-0)
- 1-[2-(4-Chlorophenoxy)ethyl]-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one (CAS 909659-29-6)
- Halometasone Impurity 9 (CAS CATO-C4X-14469)
- N-Nitroso Darolutamide (CAS CATO-C4X-31062)
- 5-Amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-sulfonic acid (CAS 6953-45-3)
- 3-Methyl-6-styryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 43029-39-6)
- Octyl glucoside (CAS 29836-26-8)
- Methyl-(3-piperazin-1-yl-propyl)-carbamic acid tert-butyl ester (CAS 1313712-68-3)
- 2-(Trifluoromethyl)thiazole-4-carbohydrazide (CAS 1180526-68-4)
- (3-Cyclopropoxy-2-(trifluoromethyl)pyridin-4-yl)methanamine (CAS 1243400-35-2)
- 4-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS 1072811-23-4)
- 6-Amino-5-methyl-2-morpholinopyrimidin-4(3h)-one (CAS 1342905-77-4)
- (4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine (CAS 130000-78-1)
- Vialox Peptide(Pentapeptide-3) (CAS 135679-88-8)
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