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

for HPLC derivatization, LiChropur, ≥98.0% (CHN)

Synonym: 4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione, PTAD

  • CAS Number 4233-33-4

  • Empirical Formula (Hill Notation) C8H5N3O2

  • Molecular Weight 175.14

  •  Beilstein/REAXYS Number 141548

  •  EC Number 224-191-7

  •  MDL number MFCD00003148

  •  PubChem Substance ID 329756242

  •  NACRES NA.22

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Properties

Related Categories Analytical Reagents, Analytical/Chromatography, Derivatization Reagents, Derivatization Reagents HPLC, Mass Spectrometry More...
Quality Level   100
grade   for HPLC derivatization
assay   ≥98.0% (CHN)
quality   LiChropur
application(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 & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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