2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate CAS 519016-62-7
| CAS No. | 519016-62-7 |
| Molecular Formula | C15H20ClNO5S |
| Molecular Weight | 361.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 519016-62-7), molecular formula C15H20ClNO5S and molecular weight 361.84 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Tert-butyl 4-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate (C15H20ClNO5S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 361.84 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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.
Physical & Chemical Properties
| Molecular Formula | C15H20ClNO5S |
| Molecular Weight | 361.84 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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- Semaglutide impurity 272 (CAS CATO-C4X-2226272)
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