3-Bromo-8-(tert-butoxycarbonyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxylic acid CAS 1094091-91-4
| CAS No. | 1094091-91-4 |
| Molecular Formula | C13H18BrN3O4 |
| Molecular Weight | 360.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Bromo-8-(tert-butoxycarbonyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxylic acid (CAS 1094091-91-4), molecular formula C13H18BrN3O4 and molecular weight 360.20 g/mol, is a CATO reference standard with documented purity and traceability.
3-Bromo-8-(tert-butoxycarbonyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxylic acid (C13H18BrN3O4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 3-Bromo-8-(tert-butoxycarbonyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxylic acid 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 | C13H18BrN3O4 |
| Molecular Weight | 360.20 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 7-(tert-Butyl) 1-methyl 3-bromo-5,6-dihydroimidazo[1,5-a]pyrazine-1,7(8H)-dicarboxylate (CAS 1094091-45-8)
- tert-Butyl (2-((5-bromo-2-nitrophenyl)amino)ethyl)carbamate (CAS 1071527-72-4)
- Alectinib Impurity 55 (CAS CATO-C4X-283655)
- (2E)-3-(2H-1,3-Benzodioxol-5-yl)-N-(4-bromo-3-methylphenyl)prop-2-enamide (CAS 298215-67-5)
- 4-[(4-Bromobenzyl)oxy]benzaldehyde (CAS 149833-95-4)
- N'-[(tert-Butoxy)carbonyl]-2-chloro-4-nitrobenzohydrazide (CAS 2055119-26-9)
- 2,7-Naphthyridine-4-carbaldehyde (CAS 10273-40-2)
- 2,2,2-Trifluoroethyl (4,6-dimethylpyrimidin-2-yl)carbamate (CAS 1087788-72-4)
- 1-(1,5-Dimethyl-1H-Pyrazol-4-Yl)-Ethanol (CAS 108905-82-4)
- Ethyl 2-amino-5-benzylthiophene-3-carboxylate (CAS 216686-60-1)
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