1-[(4-Methoxyphenyl)methyl]-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 860789-71-5

Purity 97%+In StockPharmaceutical Standards
CAS No.860789-71-5
Molecular FormulaC18H19N3O2
Molecular Weight309.36 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-[(4-Methoxyphenyl)methyl]-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 860789-71-5 chemical structure

Description

The occurrence of 1-[(4-Methoxyphenyl)methyl]-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-[(4-Methoxyphenyl)methyl]-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860789-71-5), molecular formula C18H19N3O2 and molecular weight 309.36 g/mol, is a CATO reference standard with documented purity and traceability.

1-[(4-Methoxyphenyl)methyl]-3-methyl-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (C18H19N3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 FormulaC18H19N3O2
Molecular Weight309.36 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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms3

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