2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 7-chloro-3-methylbenzofuran-2-carboxylate CAS 874599-78-7
| CAS No. | 874599-78-7 |
| Molecular Formula | C18H19ClN2O4 |
| Molecular Weight | 362.81 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 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 7-chloro-3-methylbenzofuran-2-carboxylate.
2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 7-chloro-3-methylbenzofuran-2-carboxylate (CAS 874599-78-7), molecular formula C18H19ClN2O4 and molecular weight 362.81 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 7-chloro-3-methylbenzofuran-2-carboxylate (C18H19ClN2O4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 7-chloro-3-methylbenzofuran-2-carboxylate 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 | C18H19ClN2O4 |
| Molecular Weight | 362.81 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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- tert-Butyl (trans--4-hydroxy-4-(2-oxoethyl)cyclohexyl)carbamate (CAS 2180094-46-4)
- 4-Chloro-2-((2-(trifluoromethyl)benzyl)thio)pyridine (CAS 1346707-59-2)
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