Ethyl 5-(benzyloxy)-6-bromo-2-formyl-1-methyl-1H-indole-3-carboxylate CAS 1704066-45-4
| CAS No. | 1704066-45-4 |
| Molecular Formula | C20H18BrNO4 |
| Molecular Weight | 416.27 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.
Ethyl 5-(benzyloxy)-6-bromo-2-formyl-1-methyl-1H-indole-3-carboxylate (CAS 1704066-45-4), molecular formula C20H18BrNO4 and molecular weight 416.27 g/mol, is a CATO reference standard with documented purity and traceability.
Ethyl 5-(benzyloxy)-6-bromo-2-formyl-1-methyl-1H-indole-3-carboxylate (C20H18BrNO4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
Physical & Chemical Properties
| Molecular Formula | C20H18BrNO4 |
| Molecular Weight | 416.27 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- Methyl 4-[(2-chloroacetamido)methyl]benzoate (CAS 379255-44-4)
- 4-(4-Chloro-1h-pyrrole-2-carbonyl)morpholine-3-carboxylic acid (CAS 1467993-54-9)
- 2-(Pyrimidin-2-ylamino)-1,3-thiazole-4-carboxylic acid (CAS 1283109-30-7)
- N-(7-Chloro-4-methoxybenzo[d]thiazol-2-yl)-3-methylisoxazole-5-carboxamide (CAS 946287-39-4)
- 2-(1h-Imidazole-2-carbonyl)pyridine (CAS 203664-11-3)
- Peptide YY (human) trifluoroacetate salt (CAS 118997-30-1)
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