42579

4-Phenyl-1,2,4-triazoline-3,5-dione

LiChropur^™, ≥98.0% (CHN)

• Synonym(s): Cookson reagent, 4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione, PTAD
• Empirical Formula (Hill Notation): C₈H₅N₃O₂
• CAS Number: 4233-33-4
• Molecular Weight: 175.14
• Beilstein: 141548
• EC Number: 224-191-7
• MDL number: MFCD00003148
• UNSPSC Code: 41116105
• PubChem Substance ID: 329756242
• NACRES: NA.22

Properties

• grade: derivatization grade ((HPLC))
• Quality Level: 100
• Assay: ≥98.0% (CHN)
• quality: LiChropur^™
• technique(s): HPLC: suitable
• mp: 165-170 °C (dec.) (lit.)
• storage temp.: 2-8°C
• SMILES string: O=C1N=NC(=O)N1c2ccccc2
• InChI: 1S/C8H5N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H
• InChI key: ISULLEUFOQSBGY-UHFFFAOYSA-N

Description

General description

4-Phenyl-1,2,4-triazoline-3,5-dione, also known as Cookson reagent, is a strong dienophile, which gives a stable Diels-Alder adduct quantitatively within a short time and under mild conditions. It is commonly used as a protecting group of the diene moiety for the synthesis of vitamin D₃ (VD₃)-related compounds.

Application

4-Phenyl-1,2,4-triazoline-3,5-dione may be used as a derivatizing reagent for the determination of trace levels of 25-hydroxyvitamin D and its C-3 epimer in biological samples and cholecalciferol (vitamin D₃) in fortified infant formula, milk and milk powder using liquid chromatography–tandem mass spectrometry (LC–MS/MS)technique.

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Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable