tert-Butyl 3-bromo-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate CAS 2158268-53-0
| CAS No. | 2158268-53-0 |
| Molecular Formula | C11H16BrN3O2 |
| Molecular Weight | 302.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 302.17 g/mol gives tert-Butyl 3-bromo-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies tert-Butyl 3-bromo-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate (CAS 2158268-53-0), a certified reference material (molecular formula C11H16BrN3O2, MW 302.17 g/mol) for analytical method development and quality control.
Based on its molecular formula C11H16BrN3O2, tert-Butyl 3-bromo-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 302.17 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).
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 | C11H16BrN3O2 |
| Molecular Weight | 302.17 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- tert-Butyl 3-(4-bromo-1H-pyrazol-1-yl)azetidine-1-carboxylate (CAS 877399-34-3)
- Tert-butyl 3-bromo-6,7-dihydroimidazo[1,2-a]pyrimidine-8(5H)-carboxylate (CAS 2167422-73-1)
- rel-methyl 4-((1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl)benzoate (CAS 2097275-31-3)
- Tert-butyl 3-bromo-6,7-dihydropyrazolo[1,5-a]pyrimidine-4(5H)-carboxylate (CAS 2166639-82-1)
- n-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pivalamide (CAS 1409999-54-7)
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- Captopril EP Impurity B (CAS 80629-35-2)
- Tranilast Impurity 11 (CAS CATO-C4X-252911)
- 7-Bromo-6-methylbenzo[e][1,2,4]triazin-3-amine (CAS 867333-38-8)
- Pcb No. 65 (CAS 33284-54-7)
- Semaglutide Impurity 13 (CAS CATO-C4X-222613)
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