2-((Benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl 5-bromonicotinate CAS 387381-95-5
| CAS No. | 387381-95-5 |
| Molecular Formula | C16H13BrN2O5 |
| Molecular Weight | 393.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((Benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl 5-bromonicotinate (CAS 387381-95-5) is a high-purity analytical reference standard with the molecular formula C16H13BrN2O5 and a molecular weight of 393.19 g/mol.
Structurally, 2-((Benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl 5-bromonicotinate (C16H13BrN2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 393.19 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), 2-((Benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl 5-bromonicotinate 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 | C16H13BrN2O5 |
| Molecular Weight | 393.19 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 DMSO, DMF, methanol |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- 2-((4-(Methoxycarbonyl)phenyl)amino)-2-oxoethyl 5-bromonicotinate (CAS 745788-57-2)
- 2-(2-(2-(4-Bromophenoxy)acetyl)hydrazine-1-carbonyl)benzoic acid (CAS 355809-53-9)
- 1-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-3-(4-chlorophenyl)urea (CAS 338409-01-1)
- 2-Chloro-4-(4-chlorophenyl)-6-(3-(trifluoromethyl)phenyl)nicotinonitrile (CAS 860649-59-8)
- Tert-butyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]Decane-8-carboxylate (CAS 2306274-75-7)
- 6-Methyl-2-(prop-1-yn-1-yl)-1,3,6,2-dioxazaborocane-4,8-dione (CAS 1104637-55-9)
- Defluoro-decarboxyl Ofloxacin (CAS 1346602-33-2)
- N,N-Dimethyl-5-(trifluoromethyl)pyridin-3-amine (CAS 1260777-19-2)
- 3-bromo-1-benzothiophen-7-amine (CAS 1638771-86-4)
- Ethyl 3-chloro-5-methyl-2-oxohexanoate (CAS 111055-64-2)
- 3-Chloro-5-fluoro-2-nitropyridine (CAS 1805227-67-1)
- 2-Amino-N-(4-cyanobenzyl)-N-cyclopropylacetamide (CAS 1353976-14-3)
- 5-Ethyl-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 1017399-00-6)
- CBP501 Affinity Peptide trifluoroacetate salt (CAS 1351804-17-5)
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