1,3-Di-tert-butyl-1H-imidazol-3-ium-2-carboxylate CAS 479641-76-4
| CAS No. | 479641-76-4 |
| Molecular Formula | C12H20N2O2 |
| Molecular Weight | 224.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1,3-Di-tert-butyl-1H-imidazol-3-ium-2-carboxylate (CAS 479641-76-4), molecular formula C12H20N2O2 and molecular weight 224.30 g/mol, is a CATO reference standard with documented purity and traceability.
1,3-Di-tert-butyl-1H-imidazol-3-ium-2-carboxylate (C12H20N2O2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C12H20N2O2 |
| Molecular Weight | 224.30 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
Recommended Standards
- 1,3-Dimethyl-2-phenylbenzimidazoline (CAS 3652-92-4)
- 1,4,6,9-Tetramethyldibenzo[b,d]furan (CAS 62787-22-8)
- 1,3-Di(pyridin-4-yl)cyclopentane (CAS 865075-20-3)
- 1,4-dioxadispiro[4.2.5⁸.2⁵]pentadecan-11-one (CAS 2386947-99-3)
- Ethyl 2-(2-(4-methoxyphenyl)quinoline-4-carboxamido)-4,5-dimethylthiophene-3-carboxylate (CAS 337503-93-2)
- n-[4-(5-carbamoyl-1h-pyrrol-3-yl)-1,3-thiazol-2-yl]-1h-indazole-3-carboxamide (CAS 1061528-46-8)
- 5-Benzyl-4,5-dihydroisoxazole-3-carboxylic acid (CAS 135438-98-1)
- tert-Butyl ((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)methyl)carbamate (CAS 1425334-54-8)
- Ethyl 4-(1-hydrazinylethyl)benzoate (CAS 78254-16-7)
- 6-(4-Hydroxyphenyl)-3-methylimidazo[2,1-b]thiazole-2-carboxylic acid (CAS 1437477-62-7)
- Ethenamine, 2-(4-bromo-2-nitrophenyl)-n,n-dimethyl- (CAS 78508-22-2)
- 2-Chloro-1-(4-(4-chlorobenzyl)piperazin-1-yl)ethan-1-one (CAS 123580-74-5)
- N-(5-Chloro-2-Fluorophenyl)Acetamide (CAS 398-89-0)
- DAPK Substrate Peptide (CAS 386769-53-5)
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