Methyl 3-(((3-oxo-2-(4-(trifluoromethoxy)phenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl)methylene)amino)thiophene-2-carboxylate CAS 338403-30-8
| CAS No. | 338403-30-8 |
| Molecular Formula | C18H11F6N3O4S |
| Molecular Weight | 479.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 3-(((3-oxo-2-(4-(trifluoromethoxy)phenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl)methylene)amino)thiophene-2-carboxylate (CAS 338403-30-8), molecular formula C18H11F6N3O4S and molecular weight 479.35 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 3-(((3-oxo-2-(4-(trifluoromethoxy)phenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl)methylene)amino)thiophene-2-carboxylate (C18H11F6N3O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
As a certified reference material (CRM), Methyl 3-(((3-oxo-2-(4-(trifluoromethoxy)phenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl)methylene)amino)thiophene-2-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 | C18H11F6N3O4S |
| Molecular Weight | 479.35 g/mol |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- 4'-(3,4-Dichlorophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione (CAS 1797910-69-0)
- N-[5-(4-Bromophenyl)-6-(2-hydroxyethoxy)-4-pyrimidinyl]-N'-(phenylmethyl)sulfamide (CAS 441796-08-3)
- 4'-(2,4-Dichlorophenyl)-1'-methyldispiro[chromane-3,3'-pyrrolidine-2',3''-indoline]-2'',4-dione (CAS 1212332-83-6)
- 3-(3,5-Dichloro-4-hydroxy-phenyl)-5-[2-(5-methoxy-1H-indol-3-yl)-2-oxo-ethylidene]-2-thioxo-thiazolidin-4-one (CAS 1380572-40-6)
- 4-(1,3-Dioxolan-2-yl)-2-fluorobenzoic acid (CAS 936551-94-9)
- (Cyclopropylmethyl)[3-(1H-imidazol-1-yl)propyl]amine (CAS 290328-47-1)
- 4-(3,4-Dichlorobenzamido)-2-hydroxybenzoic acid (CAS 899299-08-2)
- 6-Chloro-1-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-3-((furan-2-ylmethyl)amino)quinoxalin-2(1H)-one (CAS 303986-19-8)
- 2-(Benzyloxy)-1-methoxy-4-nitrobenzene (CAS 75167-86-1)
- 1-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-chloroethan-1-one (CAS 1351478-05-1)
- 5-Bromo-7-(difluoromethoxy)-1H-indole (CAS 1707572-78-8)
- 1-(2-Hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione (CAS 29976-82-7)
- tert-Butyl 3-oxo-2-phenyl-1,2,3,4,5,7-hexahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate (CAS 1215230-27-5)
- Semaglutide impurity 62 (CAS CATO-C4X-222662)
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