Ethyl 2-(2-chlorobenzamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate CAS 331760-66-8
| CAS No. | 331760-66-8 |
| Molecular Formula | C18H16ClNO4S |
| Molecular Weight | 377.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-(2-chlorobenzamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is closely related to a flavonoid core, 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.
CATO supplies Ethyl 2-(2-chlorobenzamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 331760-66-8), a certified reference material (molecular formula C18H16ClNO4S, MW 377.84 g/mol) for analytical method development and quality control.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, Ethyl 2-(2-chlorobenzamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 377.84 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C18H16ClNO4S |
| Molecular Weight | 377.84 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- Ethyl 2-(4-chlorobenzamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 299962-45-1)
- Ethyl 2-(2-chlorobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 312949-43-2)
- (R)-2-(4-Chlorobenzamido)-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid (CAS 111911-90-1)
- 5-(4-Chlorobenzamido)-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide (CAS 419558-74-0)
- 3-(4-Chlorobenzamido)-4-ethoxybenzenesulfonyl chloride (CAS 680618-29-5)
- 5-(4-Chlorobenzamido)-2-ethoxybenzenesulfonyl chloride (CAS 680617-88-3)
- Ethyl 2-(2-chlorobenzamido)-4-phenylthiophene-3-carboxylate (CAS 331760-72-6)
- Ethyl 2-(4-chlorobenzamido)-4-phenylthiophene-3-carboxylate (CAS 77261-20-2)
Recommended Standards
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- N-(3-Chloro-4-methoxybenzyl)-4-(4-fluorophenyl)tetrahydro-1(2H)-pyrazinecarboxamide (CAS 866137-32-8)
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