Understanding Synthesis Parameters for Thionation of Phosphonates Associated with the Chemical Weapons Convention through Principal Component Analysis
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F62690094%3A18470%2F24%3A50022156" target="_blank" >RIV/62690094:18470/24:50022156 - isvavai.cz</a>
Result on the web
<a href="https://jbcs.sbq.org.br/pdf/2023-0373SR" target="_blank" >https://jbcs.sbq.org.br/pdf/2023-0373SR</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.21577/0103-5053.20240050" target="_blank" >10.21577/0103-5053.20240050</a>
Alternative languages
Result language
angličtina
Original language name
Understanding Synthesis Parameters for Thionation of Phosphonates Associated with the Chemical Weapons Convention through Principal Component Analysis
Original language description
Thiophosphonates, a class of the organophosphate compounds, are of pharmaceutical and agricultural significance. Albeit their broad scope for peaceful uses, they may also be precursors and markers to toxic chemicals, such as the nerve agent VX and other V-series agents, leading to their inclusion into the Annex on Chemicals of the Chemical Weapons Convention (CWC). Considering that they are related to chemical warfare agents and the position of our laboratory as an Organization for the Prohibition of Chemical Weapons (OPCW) Designated Laboratory for analysis of authentic environmental samples, this study aims to contribute to the understanding of the synthesis of thiophosphonates through O , O '-diethyl methylphosphonate conversion to O , O '-diethyl methylphosphonothioate using Lawesson's reagent, exploring different conditions previously reported by the literature, in order to further build a compound library for CWC verification purposes. Synthesis of the compounds has been carried out in sealed, pressure tubes, adding novelty to the present study. Reactions were followed by gas chromatography and 31 P nuclear magnetic resonance, and principal component analysis was employed to understand the intricate factors influencing thiophosphonate synthesis yield as duration, temperature and solvent. The research aims to reinforce or challenge existing scientific knowledge, providing insights into parameters related to phosphonate thionation using Lawesson's reagent, contributing to a deeper understanding of this chemical reaction.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
30108 - Toxicology
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of the Brazilian chemical society
ISSN
0103-5053
e-ISSN
1678-4790
Volume of the periodical
35
Issue of the periodical within the volume
9
Country of publishing house
BR - BRAZIL
Number of pages
10
Pages from-to
"Article Number: e20240050"
UT code for WoS article
001221979100001
EID of the result in the Scopus database
2-s2.0-85191094026