Tert-butyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate CAS 928653-77-4
| CAS No. | 928653-77-4 |
| Molecular Formula | C12H13FN2O2 |
| Molecular Weight | 236.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Tert-butyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate (CAS 928653-77-4) is a high-purity analytical reference standard with the molecular formula C12H13FN2O2 and a molecular weight of 236.24 g/mol.
Tert-butyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate (C12H13FN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, 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.
As a certified reference material (CRM), Tert-butyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H13FN2O2 |
| Molecular Weight | 236.24 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, keep tightly closed to prevent evaporation |
| 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.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- N′-(2,6-Difluorophenyl)-N,N-dimethylsulfamide (CAS 866154-28-1)
- trans-2-(4-Fluorobenzoyl)cyclopentane-1-carboxylic acid (CAS 733741-06-5)
- N′-(2,5-Difluorophenyl)-N,N-dimethylsulfamide (CAS 866154-25-8)
- Vonoprazan Impurity 271 (CAS CATO-C4X-1020271)
- 5-(3-Boronophenyl)pentanoic acid (CAS 1072946-56-5)
- 3-(4-Methyl-2-morpholino-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid (CAS 896989-02-9)
- 5-Fluoro-7-methoxyquinazolin-4(3H)-one (CAS 944742-29-4)
- 3-(5-(Allylthio)-4-methyl-4H-1,2,4-triazol-3-yl)-1-benzylpyridin-2(1H)-one (CAS 282523-19-7)
- (Z)-2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile (CAS 1379825-89-4)
- 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)-2-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidine-1,3-dione (CAS 1775353-81-5)
- Pyrimido[5,4-d]Pyrimidine Impurity 2 (CAS 32980-71-5)
- 2-(Difluoromethyl)-4-fluoro-6-methylpyridine-3-carbonyl chloride (CAS 1807157-52-3)
- 2-(4-Bromo-2,6-dichlorophenyl)-1,3-dioxolane (CAS 2221812-43-5)
- Tirzepatide Impurity 61 (CAS CATO-C4X-324061)
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