Design, synthesis, and biological activity of novel halogenated sulfite compounds.

The acaricide propargite has been widely used for over 50 years without significant resistance issues. Addressing to the propargite defects of poor crop safety, thirty-six novel halogenated propargite analogues were designed, synthesized, and characterized using 1H NMR, 13C NMR spectroscopy, and HRM...

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Main Authors: Yingshuai Liu, Guozhu Sheng, Baohong Liu, Ruofei Yin, Yaoyao Du, Bin Li
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2025-01-01
Series:PLoS ONE
Online Access:https://doi.org/10.1371/journal.pone.0327587
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author Yingshuai Liu
Guozhu Sheng
Baohong Liu
Ruofei Yin
Yaoyao Du
Bin Li
author_facet Yingshuai Liu
Guozhu Sheng
Baohong Liu
Ruofei Yin
Yaoyao Du
Bin Li
author_sort Yingshuai Liu
collection DOAJ
description The acaricide propargite has been widely used for over 50 years without significant resistance issues. Addressing to the propargite defects of poor crop safety, thirty-six novel halogenated propargite analogues were designed, synthesized, and characterized using 1H NMR, 13C NMR spectroscopy, and HRMS. All target compounds were screened for activity against adult Tetranychus cinnabarinus (spider mites) and Myzus persicae (aphids). Two compounds exhibiting higher insecticidal activity were further evaluated for crop safety on cowpea seedlings. Structural modifications, such as replacing the tert-butyl group on the propargite benzene ring with chlorine or trifluoromethoxy, and substituting the propargyl group with fluorinated alkyl groups (e.g., 2-fluoroethyl or 3,3,3-trifluoropropyl), significantly enhanced both acaricidal and aphicidal activity. Compound 5.16 demonstrated superior acaricidal activity (LC50: 14.85 mg L-1) on Tetranychus cinnabarinus and excellent crop safety on cowpea seedlings. Additionally, Compound 5.32 exhibited both acaricidal (LC50: 14.32 mg L-1) and aphicidal activity, which is unusual in this chemical class. The compounds 5.16 and 5.32 could be used as promising leads for the discovery of novel acaricides or insecticides.
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spelling doaj-art-efe5b744779c48eca57ef8fbb0280eb42025-08-20T02:36:04ZengPublic Library of Science (PLoS)PLoS ONE1932-62032025-01-01207e032758710.1371/journal.pone.0327587Design, synthesis, and biological activity of novel halogenated sulfite compounds.Yingshuai LiuGuozhu ShengBaohong LiuRuofei YinYaoyao DuBin LiThe acaricide propargite has been widely used for over 50 years without significant resistance issues. Addressing to the propargite defects of poor crop safety, thirty-six novel halogenated propargite analogues were designed, synthesized, and characterized using 1H NMR, 13C NMR spectroscopy, and HRMS. All target compounds were screened for activity against adult Tetranychus cinnabarinus (spider mites) and Myzus persicae (aphids). Two compounds exhibiting higher insecticidal activity were further evaluated for crop safety on cowpea seedlings. Structural modifications, such as replacing the tert-butyl group on the propargite benzene ring with chlorine or trifluoromethoxy, and substituting the propargyl group with fluorinated alkyl groups (e.g., 2-fluoroethyl or 3,3,3-trifluoropropyl), significantly enhanced both acaricidal and aphicidal activity. Compound 5.16 demonstrated superior acaricidal activity (LC50: 14.85 mg L-1) on Tetranychus cinnabarinus and excellent crop safety on cowpea seedlings. Additionally, Compound 5.32 exhibited both acaricidal (LC50: 14.32 mg L-1) and aphicidal activity, which is unusual in this chemical class. The compounds 5.16 and 5.32 could be used as promising leads for the discovery of novel acaricides or insecticides.https://doi.org/10.1371/journal.pone.0327587
spellingShingle Yingshuai Liu
Guozhu Sheng
Baohong Liu
Ruofei Yin
Yaoyao Du
Bin Li
Design, synthesis, and biological activity of novel halogenated sulfite compounds.
PLoS ONE
title Design, synthesis, and biological activity of novel halogenated sulfite compounds.
title_full Design, synthesis, and biological activity of novel halogenated sulfite compounds.
title_fullStr Design, synthesis, and biological activity of novel halogenated sulfite compounds.
title_full_unstemmed Design, synthesis, and biological activity of novel halogenated sulfite compounds.
title_short Design, synthesis, and biological activity of novel halogenated sulfite compounds.
title_sort design synthesis and biological activity of novel halogenated sulfite compounds
url https://doi.org/10.1371/journal.pone.0327587
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