Methyl 2-(4-((3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate CAS 331236-98-7
| CAS No. | 331236-98-7 |
| Molecular Formula | C20H13F9N2O3 |
| Molecular Weight | 500.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 2-(4-((3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate (CAS 331236-98-7), molecular formula C20H13F9N2O3 and molecular weight 500.31 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 2-(4-((3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate (C20H13F9N2O3) contains a steroid core, an amide 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
CATO manufactures Methyl 2-(4-((3,5-bis(trifluoromethyl)phenyl)ethynyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-methoxyacrylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C20H13F9N2O3 |
| Molecular Weight | 500.31 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-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 2,4-Bis(dimethylamino)-1,3-bis(3-(trifluoromethyl)phenyl)-1,3,2,4-diazadiphosphetidine 2,4-dioxide (CAS 646506-43-6)
- CW 069 (CAS 1594094-64-0)
- Triphenylbismuthcarbonate (CAS 47252-14-2)
- (R)-3-Iodo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene (CAS 389125-79-5)
- 2,3,5,6-Tetrafluorophenyl acrylate (CAS 101156-32-5)
- 4-Amino-2-fluoro-3-(trifluoromethyl)benzonitrile (CAS 1448858-64-7)
- METHYL 2-CHLORO-2-(2-CHLOROPHENYL)ACETATE (CAS 90055-47-3)
- 3-Amino-2,5-Pyrrolidinedione (Aspartimide) (CAS 5615-80-5)
- 2-(Acetyloxy)benzoic Acid 4-Methylphenyl Ester (CAS 52602-10-5)
- 1-(1,4-Diazepan-1-yl)-2,2,2-trifluoroethan-1-one (CAS 1177329-26-8)
- (2-Ethoxy-5-methoxy-phenyl)-methanol (CAS 1094849-00-9)
- Laquinimod-d (CAS 1354744-14-1)
- 4-(4-methoxyphenyl)-3-methylbut-2-enenitrile (CAS 479257-54-0)
- ((Cys31,Nva34)-Neuropeptide Y (27-36))2 (CAS 172997-92-1)
Why CATO?
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