tert-Butyl 8-benzyloxy-6-bromo-5-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS 2159123-08-5
| CAS No. | 2159123-08-5 |
| Molecular Formula | C21H23BrFNO3 |
| Molecular Weight | 436.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
tert-Butyl 8-benzyloxy-6-bromo-5-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate (CAS 2159123-08-5), molecular formula C21H23BrFNO3 and molecular weight 436.31 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-Butyl 8-benzyloxy-6-bromo-5-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate (C21H23BrFNO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 436.31 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), tert-Butyl 8-benzyloxy-6-bromo-5-fluoro-3,4-dihydro-1H-isoquinoline-2-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 | C21H23BrFNO3 |
| Molecular Weight | 436.31 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1997 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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