(2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide CAS 1164529-57-0
| CAS No. | 1164529-57-0 |
| Molecular Formula | C17H13BrFNO3 |
| Molecular Weight | 378.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 378.19 g/mol gives (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide (CAS 1164529-57-0) is a high-purity analytical reference standard with the molecular formula C17H13BrFNO3 and a molecular weight of 378.19 g/mol.
The molecular framework of (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide (C17H13BrFNO3) is characterized by a steroid core, 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. 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.
As a certified reference material (CRM), (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]prop-2-enamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C17H13BrFNO3 |
| Molecular Weight | 378.19 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- Posaconazole Impurity 131 (CAS CATO-C4X-1208131)
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- 4-Chloro-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)benzamide (CAS 338409-32-8)
- 2-(4-(Benzyloxy)-3-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1257078-54-8)
- 2-(2-Bromo-6-(difluoromethyl)-5-fluoropyridin-3-yl)acetonitrile (CAS 1806904-18-6)
- Ethyl 4-bromobenzo[d]oxazole-2-carboxylate (CAS 117077-82-4)
- ACTB-1003 (CAS 939805-30-8)
- 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine hydrochloride (CAS 1394042-32-0)
- N-(2-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine (CAS 725710-46-3)
- 3-(Bromomethyl)thiophene-2-carbonitrile (CAS 99708-88-0)
- (E)-4-Phenylbut-3-en-2-amine (CAS 51616-91-2)
- Ethyl 5-bromo-2-fluoro-4-methylbenzoate (CAS 1445967-31-6)
- Ethyl 3-(6-chloropyrazin-2-yloxy)benzoate (CAS 1086397-56-9)
- Crustacean Cardioactive Peptide (CAS 107090-96-0)
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