Tert-butyl (4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-en-1-yl)carbamate CAS 328029-05-6
| CAS No. | 328029-05-6 |
| Molecular Formula | C12H20F3NO4 |
| Molecular Weight | 299.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Tert-butyl (4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-en-1-yl)carbamate (C12H20F3NO4) contains an amide group, a carboxylic acid 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.
Tert-butyl (4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-en-1-yl)carbamate (CAS 328029-05-6), molecular formula C12H20F3NO4 and molecular weight 299.29 g/mol, is a CATO reference standard with documented purity and traceability.
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.
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 | C12H20F3NO4 |
| Molecular Weight | 299.29 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- N-Cyclohexyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CAS 946203-59-4)
- Tris(4-fluorophenyl)amine (CAS 899-26-3)
- N-(tert-Butyl)-N-fluoro-4-(trifluoromethyl)benzenesulfonamide (CAS 2620722-27-0)
- 436092-90-9 2-[5-(4-Aminophenyl)-2H-tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide DTXSID20357664 (CAS 436092-90-9)
- 2-(3-Bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazole (CAS 944391-84-8)
- 2-(3-Methylbenzyl)succinic acid (CAS 6315-20-4)
- 2-((2-(4-Methoxyphenyl)-1H-indol-3-yl)thio)ethan-1-amine (CAS 865546-50-5)
- Tert-butyl (S)-4-(6-aminopyridin-3-yl)-3-methylpiperazine-1-carboxylate (CAS 1433849-58-1)
- Abrocitinib Impurity 36 (CAS CATO-C4X-288436)
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- 1-(2-(3-Methylpyridin-2-yl)thiazol-5-yl)ethan-1-one (CAS 1248387-59-8)
- Liraglutide Impurity 30 (CAS CATO-C4X-199230)
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