Methyl 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}pyridine-4-carboxylate CAS 339101-57-4
| CAS No. | 339101-57-4 |
| Molecular Formula | C18H16ClF3N4O3 |
| Molecular Weight | 428.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}pyridine-4-carboxylate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}pyridine-4-carboxylate (CAS 339101-57-4), molecular formula C18H16ClF3N4O3 and molecular weight 428.79 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}pyridine-4-carboxylate (C18H16ClF3N4O3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), Methyl 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl}pyridine-4-carboxylate 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 | C18H16ClF3N4O3 |
| Molecular Weight | 428.79 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related Methyl Standards
- (E)-3-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-6-(phenyldiazenyl)quinolin-4(1H)-one (CAS 551930-81-5)
- 2-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-6-hydroxy-1,3-dioxooctahydro-1H-4,7-methanoisoindole-5-carbonitrile (CAS 321998-81-6)
- 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-N-phenylbenzene-1-sulfonamide (CAS 338775-45-4)
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- 9-chloro-5-(((trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate (CAS 2226905-32-2)
- 5-Chloro-2-(2-(2-((3-(furan-3-yl)phenyl)amino)-2-oxoethoxy)acetamido)benzoic acid (CAS 1190221-43-2)
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- 1775492-05-1 4-Chloro-2-methoxy-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide MFCD28805964 (CAS 1775492-05-1)
Recommended Standards
- Bis[(±)-2-ethylhexyl] Phthalate-d38 (CAS 352431-42-6)
- n-(Benzo[d][1,3]dioxol-5-yl)-4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxamide (CAS 866131-92-2)
- N-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-chloro-N-(4-fluorophenyl)-3-nitrobenzamide (CAS 648409-37-4)
- 4,6,7-Tribromo-1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid (CAS 96680-46-5)
- 2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole (CAS 1874-42-6)
- Mevociclib (CAS 1816989-16-8)
- 3B,4a-dihydrobenzo[12,1]tetrapheno[5,6-b]oxirene (CAS 37574-47-3)
- 5-(Chloromethyl)-3-methyl-4-nitroisoxazole (CAS 1835764-98-1)
- 2-((2-Bromophenoxy)methyl)-1,3-dioxolane (CAS 850348-70-8)
- Chrysene-trans-3,4-dihydrodiol (CAS 64920-32-7)
- (2S,3R,4S,5R,6R)-2-(((2S,3R,4R,5R,6S)-5-Acetoxy-4-hydroxy-2-((5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-3-yl)oxy)-6-methyltetrahydro-2H-pyr (CAS 174286-13-6)
- 2-Oxo-1-phenyl-1,2-dihydro-1,8-naphthyridine-3-carboxylic acid (CAS 1239164-92-1)
- 3-(3,4-Difluorophenoxy)propan-1-amine (CAS 950644-35-6)
- Pancreatic Polypeptide (1-17)-(Ala31,Aib32)-Neuropeptide Y (18-36) (human) trifluoroacetate salt (CAS 313988-70-4)
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