3-((Tert-butoxycarbonyl)amino)-3-(4-(methylthio)phenyl)propanoic acid CAS 454473-83-7

Purity 97%+In StockPharmaceutical Standards
CAS No.454473-83-7
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((Tert-butoxycarbonyl)amino)-3-(4-(methylthio)phenyl)propanoic acid CAS 454473-83-7 chemical structure

Description

3-((Tert-butoxycarbonyl)amino)-3-(4-(methylthio)phenyl)propanoic acid (CAS 454473-83-7), molecular formula C15H21NO4S and molecular weight 311.40 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-((Tert-butoxycarbonyl)amino)-3-(4-(methylthio)phenyl)propanoic acid (C15H21NO4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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 311.40 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Purity97%+
StorageStore at 2-8°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
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms1
Sulfur Atoms1

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