(2E)-3-[2,5-Dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid CAS 478077-83-7

Purity 97%+In StockPharmaceutical Standards
CAS No.478077-83-7
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2E)-3-[2,5-Dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid CAS 478077-83-7 chemical structure

Description

The occurrence of (2E)-3-[2,5-Dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid is closely related to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(2E)-3-[2,5-Dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid (CAS 478077-83-7), molecular formula C11H12N4O2 and molecular weight 232.24 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (2E)-3-[2,5-Dimethyl-1-(4H-1,2,4-triazol-4-yl)-1H-pyrrol-3-yl]prop-2-enoic acid (C11H12N4O2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 232.24 g/mol, it falls into the medium-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 FormulaC11H12N4O2
Molecular Weight232.24 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 DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms4

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