42579
4-Phenyl-1,2,4-triazoline-3,5-dione
derivatization grade (HPLC), LiChropur™, ≥98.0% (CHN)
Synonym(s):
Cookson reagent, 4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione, PTAD
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About This Item
Empirical Formula (Hill Notation):
C8H5N3O2
CAS Number:
Molecular Weight:
175.14
UNSPSC Code:
41116105
NACRES:
NA.22
PubChem Substance ID:
EC Number:
224-191-7
Beilstein/REAXYS Number:
141548
MDL number:
Assay:
≥98.0% (CHN)
grade
derivatization grade (HPLC)
Quality Level
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
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.
Legal Information
LiChropur is a trademark of Merck KGaA, Darmstadt, Germany
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Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Chromatographic separation of PTAD-derivatized 25-hydroxyvitamin D3 and its C-3 epimer from human serum and murine skin
Teegarden DM, et al.
Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences, 991(1), 118-121 (2015)
Grant A Abernethy
Analytical and bioanalytical chemistry, 403(5), 1433-1440 (2012-03-24)
A method for analysing vitamin D(3) (VD3, cholecalciferol) has been established and validated. This method is rapid and cost effective and is intended for use in quality control in the manufacture of fortified infant formulae and milk powders. Milk or
A S Weiskopf et al.
Journal of mass spectrometry : JMS, 36(1), 71-78 (2001-02-17)
The structural specificity of vitamin D derivatization by PTAD (4-phenyl-1,2,4-triazoline-3,5-dione) was probed using synthetic analogues and ion trap mass spectrometry. EB 1089, a vitamin D(3) analogue which contains a second site for Diels--Alder cycloaddition on its side-chain, allowed the examination
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 42579-100MG | 04061832104065 |
| 42579-10X100MG | 04061833439135 |