tert-Butyl 3-iodo-1H-pyrrolo[2,3-b]pyridin-5-ylcarbamate CAS 1015609-19-4
| CAS No. | 1015609-19-4 |
| Molecular Formula | C12H22IN3O2 |
| Molecular Weight | 367.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl 3-iodo-1H-pyrrolo[2,3-b]pyridin-5-ylcarbamate (CAS 1015609-19-4), molecular formula C12H22IN3O2 and molecular weight 367.23 g/mol, is a CATO reference standard with documented purity and traceability.
tert-Butyl 3-iodo-1H-pyrrolo[2,3-b]pyridin-5-ylcarbamate (C12H22IN3O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, iodine 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C12H22IN3O2 |
| Molecular Weight | 367.23 g/mol |
| Appearance | 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
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- 2-{1-[(3-acetylphenyl)amino]ethylidene}-2,3-dihydro-1H-indene-1,3-dione (CAS 497061-06-0)
- 1-(1,3-Dimethyl-1H-pyrazol-4-yl)-2,2-difluoroethanone (CAS 1174846-40-2)
- Peptide 442 (CAS CATO-CPTD788442)
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