Ethyl 6,6-dibromo-7-oxo-2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate CAS 113407-91-3

Purity 97%+In StockPharmaceutical Standards
CAS No.113407-91-3
Molecular FormulaC14H15Br2NO4S
Molecular Weight453.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 6,6-dibromo-7-oxo-2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate CAS 113407-91-3 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 Ethyl 6,6-dibromo-7-oxo-2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate.

Ethyl 6,6-dibromo-7-oxo-2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 113407-91-3), molecular formula C14H15Br2NO4S and molecular weight 453.15 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution, Ethyl 6,6-dibromo-7-oxo-2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 453.15 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC14H15Br2NO4S
Molecular Weight453.15 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentBr-containing
Nitrogen Atoms1
Sulfur Atoms1

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