4-((3-Acetyl-2,5-dimethyl-1H-pyrrol-1-yl)methyl)benzoic acid CAS 887683-80-9

Purity 97%+In StockPharmaceutical Standards
CAS No.887683-80-9
Molecular FormulaC16H17NO3
Molecular Weight271.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-((3-Acetyl-2,5-dimethyl-1H-pyrrol-1-yl)methyl)benzoic acid CAS 887683-80-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 271.31 g/mol gives 4-((3-Acetyl-2,5-dimethyl-1H-pyrrol-1-yl)methyl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-((3-Acetyl-2,5-dimethyl-1H-pyrrol-1-yl)methyl)benzoic acid (CAS 887683-80-9), molecular formula C16H17NO3 and molecular weight 271.31 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 4-((3-Acetyl-2,5-dimethyl-1H-pyrrol-1-yl)methyl)benzoic acid (C16H17NO3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 FormulaC16H17NO3
Molecular Weight271.31 g/mol
AppearancePale yellow to yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms1

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