tert-Butyl 8-bromo-7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate CAS 2680903-17-5
| CAS No. | 2680903-17-5 |
| Molecular Formula | C14H17BrFNO2 |
| Molecular Weight | 330.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl 8-bromo-7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate (C14H17BrFNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine 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.
CATO supplies tert-Butyl 8-bromo-7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 2680903-17-5), a certified reference material (molecular formula C14H17BrFNO2, MW 330.19 g/mol) for analytical method development and quality control.
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 | C14H17BrFNO2 |
| Molecular Weight | 330.19 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.) | 2002 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- Tert-butyl 6-bromo-5-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 2058040-86-9)
- 3-(5-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)tetrahydrothiophene 1,1-dioxide (CAS 1016857-76-3)
- Tert-butyl 6-bromo-4-fluoro-3,4-dihydroquinoline-1(2H)-carboxylate (CAS 2387596-26-9)
- 3-Bromo-N-(furan-2-ylmethyl)-5-methylbenzenesulfonamide (CAS 1020252-90-7)
- 4-Cyclohexylquinolin-2(1H)-one (CAS 197455-64-4)
- 4,4'-(Ethane-1,2-diylbis(oxy))bis(3-methoxybenzaldehyde) (CAS 5784-66-7)
- (R)-4-Isopropyl-2-(6-methylpyridin-2-yl)-4,5-dihydrooxazole (CAS 2757083-00-2)
- 2-Amino-6-(difluoromethyl)-5-hydroxynicotinic acid (CAS 1805328-37-3)
- (r)-2-Amino-2-(2-chloro-6-nitrophenyl)ethan-1-ol (CAS 1213406-32-6)
- 2-(4-Chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide (CAS 300820-85-3)
- H-Arg-His-NH? (CAS 244765-93-3)
- 5-({[(tert-butoxy)carbonyl]amino}methyl)furan-3-carboxylic acid (CAS 1797772-60-1)
- 4,5-Dibromo-2-phenylpyridazin-3(2H)-one (CAS 14305-08-9)
- Biotinyl-Neuropeptide Y (human, rat) trifluoroacetate salt (CAS 213779-13-6)
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