ethyl 3-{[2-(aminocarbonyl)-5-(tert-butyl)-3-thienyl]amino}-2-(2,2,2-trifluoroacetyl)acrylate CAS 648410-12-2
| CAS No. | 648410-12-2 |
| Molecular Formula | C16H19F3N2O4S |
| Molecular Weight | 392.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of ethyl 3-{[2-(aminocarbonyl)-5-(tert-butyl)-3-thienyl]amino}-2-(2,2,2-trifluoroacetyl)acrylate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies ethyl 3-{[2-(aminocarbonyl)-5-(tert-butyl)-3-thienyl]amino}-2-(2,2,2-trifluoroacetyl)acrylate (CAS 648410-12-2), a certified reference material (molecular formula C16H19F3N2O4S, MW 392.39 g/mol) for analytical method development and quality control.
Based on its molecular formula C16H19F3N2O4S, ethyl 3-{[2-(aminocarbonyl)-5-(tert-butyl)-3-thienyl]amino}-2-(2,2,2-trifluoroacetyl)acrylate contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 392.39 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C16H19F3N2O4S |
| Molecular Weight | 392.39 g/mol |
| 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.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related ethyl Standards
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- trans-4-[4-[6-(Aminocarbonyl)-3,5-dimethyl-2-pyrazinyl]phenyl]cyclohexaneacetic acid methyl ester (CAS 1166831-68-0)
- 6-{[4-(Aminocarbonyl)piperidin-1-yl]sulfonyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 317329-40-1)
- 3-[(Aminocarbonyl)amino]-5-[4-(4-morpholinylmethyl)phenyl]-2-thiophenecarboxamide (CAS 494772-86-0)
- methyl 3-{[2-(aminocarbonyl)-5-(4-methoxyphenyl)-3-thienyl]amino}-2-(2,2,2-trifluoroacetyl)acrylate (CAS 648410-27-9)
- [{2-[4-(Aminocarbonyl)piperidin-1-yl]-2-oxoethyl}(4-methoxyphenyl)amino]acetic acid (CAS 1142205-79-5)
- [{2-[3-(Aminocarbonyl)piperidin-1-yl]-2-oxoethyl}(4-methoxyphenyl)amino]acetic acid (CAS 1142205-80-8)
- 4-[2-(Aminocarbonyl)-5-benzofuranyl]-1-piperazinecarboxylic Acid tert-Butyl Ester (CAS 183288-44-0)
Recommended Standards
- 9-(((Trifluoromethyl)sulfonyl)oxy)-6,7-dihydro-5H-benzo[7]annulen-3-yl pivalate (CAS 2114341-34-1)
- Methyl 1-(3-(thiophen-2-yl)-3-(2,2,2-trifluoroacetamido)propanoyl)piperidine-4-carboxylate (CAS 439107-50-3)
- 9-(((Trifluoromethyl)sulfonyl)oxy)-6,7-dihydro-5H-benzo[7]annulen-2-yl pivalate (CAS 2114341-29-4)
- Methyl 5-(4-(methylthio)phenyl)-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylate (CAS 641639-55-6)
- 2-Ethylbutyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 300360-05-8)
- 8-Chloroadenosine (CAS 34408-14-5)
- 6-Bromo-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile (CAS 213011-46-2)
- 4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl 2-chloroacetate (CAS 443294-30-2)
- 2-(5-Bromo-2-chloropyridin-4-yl)acetonitrile (CAS 1227590-03-5)
- 4-Hydroxymethyl-1-phenyl-1,2,3-triazole (CAS 103755-58-4)
- 2-(3,5-Dimethyl-1h-1,2,4-triazol-1-yl)-5-fluorobenzaldehyde (CAS 1248144-74-2)
- Hydrogen ((dimethylamino)methyl)trifluoroborate (CAS 1686150-26-4)
- (1S,4R)-2-Azabicyclo[2.2.1]heptane (CAS 175275-72-6)
- ([13C6]Leu14)-Glucagon (1-29) (human, rat, porcine) trifluoroacetate salt (CAS 1802078-39-2)
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