title: Facile and efficient synthesis and herbicidal activity determination of novel 1,2,4-triazolo[4,3-a]pyridin-3(2H)-one derivatives via microwave irradiation.
abstract: A series of novel 1,2,4-triazolo[4,3-a]pyridin-3(2H)-one derivatives were synthesized and identified by (1)H NMR, single crystal X-ray diffraction, elemental analysis or HRMS, and their herbicidal activities were determined at different concentrations. It was found that some of the title compounds possess high herbicidal activity. Furthermore, DFT calculation was used to study the SAR.
authors.affiliation: College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China. Electronic address: xhliu@zjut.edu.cn.
authors.forename: Xing-Hai
authors.initials: XH
authors.lastname: Liu
authors.affiliation: College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China.
authors.forename: Zhi-Wen
authors.initials: ZW
authors.lastname: Zhai
authors.affiliation: Zhejiang Base of National Southern Pesticide Research Centre, Zhejiang Research Institute of Chemical Industry, Hangzhou 310023, China.
authors.forename: Xiao-Yan
authors.initials: XY
authors.lastname: Xu
authors.affiliation: College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China.
authors.forename: Ming-Yan
authors.initials: MY
authors.lastname: Yang
authors.affiliation: College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China.
authors.forename: Zhao-Hui
authors.initials: ZH
authors.lastname: Sun
authors.affiliation: College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China.
authors.forename: Jian-Quan
authors.initials: JQ
authors.lastname: Weng
authors.affiliation: College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China.
authors.forename: Cheng-Xia
authors.initials: CX
authors.lastname: Tan
authors.affiliation: Zhejiang Base of National Southern Pesticide Research Centre, Zhejiang Research Institute of Chemical Industry, Hangzhou 310023, China.
authors.forename: Jie
authors.initials: J
authors.lastname: Chen
mesh_terms: D060326:Chemistry Techniques, Synthetic; D018360:Crystallography, X-Ray; D006540:Herbicides / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D009682:Magnetic Resonance Spectroscopy; D008872:Microwaves; D010881:Piperidones / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D010944:Plants / Q000187:drug effects*; D011789:Quantum Theory; D013329:Structure-Activity Relationship; D014230:Triazoles / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D006540:Herbicides; D010881:Piperidones; D014230:Triazoles
keywords: 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one; Crystal structure; DFT; Herbicidal activities; Microwave assistant synthesis