N-[1-cyano-1-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide CAS 1461707-99-2
| CAS No. | 1461707-99-2 |
| Molecular Formula | C13H13F3N2O3 |
| Molecular Weight | 302.25 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.
CATO supplies N-[1-cyano-1-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide (CAS 1461707-99-2), a certified reference material (molecular formula C13H13F3N2O3, MW 302.25 g/mol) for analytical method development and quality control.
Based on its molecular formula C13H13F3N2O3, N-[1-cyano-1-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 302.25 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C13H13F3N2O3 |
| Molecular Weight | 302.25 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, 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related N Standards
- Ethyl 2-cyano-2-(2-nitro-4-(trifluoromethyl)phenyl)acetate (CAS 13544-04-2)
- Ethyl 2-cyano-2-[2-nitro-5-(trifluoromethyl)phenyl]acetate (CAS 339278-07-8)
- Methyl 2-((3-cyano-4-(4-fluorophenyl)pyridin-2-yl)thio)acetate (CAS 341967-43-9)
- N-(3-cyano-5-phenylfuran-2-yl)-3-methylbenzamide (CAS 478033-47-5)
- N-(3-cyano-5-phenylfuran-2-yl)-4-methylbenzamide (CAS 478045-64-6)
- 3-(1-Cyano-1-Methylethyl)-5-Fluoro-1H-Indole-1-Carboxylic Acid 1,1-Dimethylethyl Ester (CAS 847865-43-4)
- 3-Cyano-N-(4-methoxybenzyl)benzenesulfonamide (CAS 1018240-62-4)
- Ethyl 1-[cyano-(4-methoxyphenyl)-methyl]piperidine-4-carboxylate (CAS 1440535-26-1)
Recommended Standards
- 2-(6-Hydroxy-1-oxo-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid (CAS 1414798-31-4)
- 1-(4,4-Dimethyl-6-nitro-3,4-dihydroquinolin-1(2H)-yl)-2,2,2-trifluoroethanone (CAS 1627696-32-5)
- 2-{[3-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione (CAS 136758-25-3)
- [6-[tert-butyl(dimethyl)silyl]oxy-2-naphthyl]boronic acid (CAS 179942-45-1)
- 4-(2-Chloro-phenyl)-3-chlorosulfonyl-5-trifluoro-methyl-thiophene-2-carboxylic acid methyl ester (CAS 1431555-31-5)
- 2-Ethoxy-4-methylpentan-1-amine (CAS 883538-38-3)
- 4-(2-(2-(4-Chlorophenyl)-1H-indol-3-yl)hydrazinyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CAS 88152-04-9)
- 3,6-Dibromo-9-(2-fluoro-3-(piperazin-1-yl)propyl)-9H-carbazole dihydroChloride (CAS 335166-00-2)
- N-Cyclohexyl-2-imino-10-methyl-1-(2-morpholinoethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 618383-69-0)
- 2-(3,4-dimethoxyphenyl)propan-1-amine (CAS 55174-61-3)
- 1-Benzyl-1,3-Dimethylurea (CAS 59226-54-9)
- 3-Bromo-2,3-dihydro-4H-benzo[h]chromen-4-one (CAS 93416-98-9)
- (1-Ethylazetidin-3-yl)methanamine (CAS 1412978-07-4)
- Semaglutide Impurity 161 (x TFA Salt) (CAS CATO-C4X-2226161)
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