tert-Butyl 6-chloro-4,4-difluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate CAS 2845281-71-0
| CAS No. | 2845281-71-0 |
| Molecular Formula | C14H16ClF2NO2 |
| Molecular Weight | 303.73 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl 6-chloro-4,4-difluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate (C14H16ClF2NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
tert-Butyl 6-chloro-4,4-difluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 2845281-71-0) is a high-purity analytical reference standard with the molecular formula C14H16ClF2NO2 and a molecular weight of 303.73 g/mol.
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 6-chloro-4,4-difluoro-3,4-dihydroisoquinoline-2(1H)-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 | C14H16ClF2NO2 |
| Molecular Weight | 303.73 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
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