1-tert-Butyl 6-methyl 3-bromo-1H-indole-1,6-dicarboxylate CAS 479552-81-3
| CAS No. | 479552-81-3 |
| Molecular Formula | C15H16BrNO4 |
| Molecular Weight | 354.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-tert-Butyl 6-methyl 3-bromo-1H-indole-1,6-dicarboxylate (CAS 479552-81-3), molecular formula C15H16BrNO4 and molecular weight 354.20 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution, 1-tert-Butyl 6-methyl 3-bromo-1H-indole-1,6-dicarboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 354.20 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C15H16BrNO4 |
| Molecular Weight | 354.20 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 1-Methyl-3-(trifluoromethyl)-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid (CAS 158712-29-9)
- 2,2',4,4'-Tetramethoxy-1,1'-biphenyl (CAS 3153-72-8)
- 4-((4-Bromobenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile (CAS 148869-05-0)
- 2-amino-5-(4-bromobenzyl)-6-(dimethoxymethyl)pyrimidin-4(1H)-one (CAS 31349-23-2)
- 4-Butoxy-2,3-difluoro-4'-((1s,4r)-4-propylcyclohexyl)-1,1'-biphenyl (CAS 323178-03-6)
- Methyl 4-amino-2-chloro-3-iodobenzoate (CAS 935676-14-5)
- 6-Bromo-1-cyclopropyl-1H-indole (CAS 1897690-68-4)
- 6-Methylpyridin-4(3H)-one (CAS 832129-70-1)
- Hg in water quality (CAS CATO-CQCM102199)
- Potassium cyclobutylmethyltrifluoroborate (CAS 2135480-21-4)
- 6-((4-Methoxyphenyl)(morpholino)methyl)benzo[d][1,3]dioxol-5-ol (CAS 102616-61-5)
- 3-((4-Chlorobenzyl)amino)benzoic acid (CAS 63759-85-3)
- 1-Octanoyl-rac-glycerol-d5 (CAS 1794835-68-9)
- [D-Glu]3-Semaglutide (CAS CATO-C4X-2226253)
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