tert-Butyl 3-(bromomethyl)-1H-pyrazolo[4,3-c]pyridine-1-carboxylate CAS 1072249-77-4
| CAS No. | 1072249-77-4 |
| Molecular Formula | C12H14BrN3O2 |
| Molecular Weight | 312.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
tert-Butyl 3-(bromomethyl)-1H-pyrazolo[4,3-c]pyridine-1-carboxylate (CAS 1072249-77-4), molecular formula C12H14BrN3O2 and molecular weight 312.16 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of tert-Butyl 3-(bromomethyl)-1H-pyrazolo[4,3-c]pyridine-1-carboxylate (C12H14BrN3O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C12H14BrN3O2 |
| Molecular Weight | 312.16 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
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- Ornidazole Impurity 69 (CAS CATO-C4X-133169)
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