(2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-(butan-2-yl)prop-2-enamide CAS 478064-51-6
| CAS No. | 478064-51-6 |
| Molecular Formula | C14H16BrNO3 |
| Molecular Weight | 326.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-(butan-2-yl)prop-2-enamide.
(2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-(butan-2-yl)prop-2-enamide (CAS 478064-51-6), molecular formula C14H16BrNO3 and molecular weight 326.19 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-(butan-2-yl)prop-2-enamide (C14H16BrNO3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 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.
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.
CATO manufactures (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-(butan-2-yl)prop-2-enamide 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 | C14H16BrNO3 |
| Molecular Weight | 326.19 g/mol |
| Appearance | Off-white to pale 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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- 8-Bromo-3,3-dimethyl-3,4-dihydroquinolin-2(1h)-one (CAS 2167942-69-8)
- 2-((5-(2-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-nitrophenyl)ethanone (CAS 336180-27-9)
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- Cholecalciferol Impurity 28 (CAS CATO-C4X-158628)
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