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42579

Supelco

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

for HPLC derivatization, 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:
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

grade

for HPLC derivatization

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

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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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

42579-BULK:
42579-VAR:
42579-10X100MG:
42579-100MG:
42579-100MG-KC:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCC8261
BCCC4738
BCBV9879
BCCB3464
BCBW9175

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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)
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
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
Dienophilic Reagent for Precolumn Derivatization of 7-Dehydrocholesterol in High Performance Liquid Chromatography
Shimada K and OE T
Analytical Sciences, 6(3), 461-463 (1990)
Jiri Adamec et al.
Journal of separation science, 34(1), 11-20 (2010-12-21)
Simultaneous and accurate measurement of vitamin D and 25-hydroxyvitamin D in biological samples is a barrier limiting our ability to define "optimal" vitamin D status. Thus, our goal was to optimize conditions and evaluate an LC-MS method for simultaneous detection

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