203313-25-1Relevant articles and documents
A High-Yield and Cost-Effective Synthesis of Spirotetramat
Mao, Longfei,Wang, Jiahao,Xu, Guiqing,Zhou, Yingjie
, p. 1775 - 1778 (2020/12/01)
Abstract: cis-8-Methoxy-1,3-diazaspiro[4.5]decane-2,4-dione, the key intermediate in the synthesis of spirotetramat, was synthesized by catalytic hydrogenation, oxidation, and Bucherer–Bergs reaction with 4-methoxycyclohexan-1-one as raw material. Spirotetramat was obtained in an overall yield of 20.4% by a multi-step reaction sequence including hydrolysis, esterification, acylation, intramolecular condensation, and O-acylation. The advantages of the proposed method are mild conditions, simple operation, and good to excellent yields in each step.
Support vector machine (SVM) classification model based rational design of novel tetronic acid derivatives as potent insecticidal and acaricidal agents
Yao, Ting-Ting,Cheng, Jing-Li,Xu, Bing-Rong,Zhang, Min-Zhe,Hu, Yong-Zhou,Zhao, Jin-Hao,Dong, Xiao-Wu
, p. 49195 - 49203 (2015/06/16)
A novel support vector machine (SVM) classification model was established for distinguishing potent and weak/inactive insecticides. Classification model-based rational design of novel tetronic acid derivatives was then performed to choose the preferable site of spirotetramat for chemical modification. Afterwards, eleven C5′-oxime ether-derived spirotetramat analogues, which are indicated as "potent class", were synthesized and validated by biological assays, revealing that theoretical estimates are significantly consistent with experimental activities of these compounds. To be of interest, the most promising compound 91b exhibited excellent insecticidal and acaricidal activities. Moreover, molecular docking was further implemented to propose the possible interaction mode of acetyl-CoA carboxylase (ACCase) and compounds 91b, 91j, and 91k, providing some important and useful guidelines for further development.