Tert-butyl 6-bromo-5-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate CAS 2058040-86-9
| CAS No. | 2058040-86-9 |
| Molecular Formula | C14H17BrFNO2 |
| Molecular Weight | 330.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Tert-butyl 6-bromo-5-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 2058040-86-9), a certified reference material (molecular formula C14H17BrFNO2, MW 330.19 g/mol) for analytical method development and quality control.
The molecular framework of Tert-butyl 6-bromo-5-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate (C14H17BrFNO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
CATO manufactures Tert-butyl 6-bromo-5-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
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.) | 1997 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- Tert-butyl 6-bromo-4-fluoro-3,4-dihydroquinoline-1(2H)-carboxylate (CAS 2387596-26-9)
- tert-Butyl 8-bromo-7-fluoro-3,4-dihydroisoquinoline-2(1H)-carboxylate (CAS 2680903-17-5)
- tert-Butyl (R)-(4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl)carbamate (CAS 2227308-32-7)
- 3-(5-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)tetrahydrothiophene 1,1-dioxide (CAS 1016857-76-3)
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com