Methyl 1-(5-(3-bromothiophen-2-yl)-3-cyano-1H-pyrrol-2-yl)piperidine-4-carboxylate CAS 477854-09-4
| CAS No. | 477854-09-4 |
| Molecular Formula | C16H16BrN3O2S |
| Molecular Weight | 394.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), Methyl 1-(5-(3-bromothiophen-2-yl)-3-cyano-1H-pyrrol-2-yl)piperidine-4-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.
Methyl 1-(5-(3-bromothiophen-2-yl)-3-cyano-1H-pyrrol-2-yl)piperidine-4-carboxylate (CAS 477854-09-4), molecular formula C16H16BrN3O2S and molecular weight 394.29 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 1-(5-(3-bromothiophen-2-yl)-3-cyano-1H-pyrrol-2-yl)piperidine-4-carboxylate (C16H16BrN3O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone 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. 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.
Physical & Chemical Properties
| Molecular Formula | C16H16BrN3O2S |
| Molecular Weight | 394.29 g/mol |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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