N-Fluorinated phenyl-N＇-pyrimidyl urea derivatives： Synthesis, biological evaluation and 3D-QSAR study

• Published in: Chinese chemical letters Vol. 25; no. 7; pp. 1069 - 1072
• Main Authors: Yue, Xia-Li, Li, Hu, Liu, Shuang-Shuang, Zhang, Qing-Ye, Yao, Jing-Jing, Wang, Fei-Yan
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01-07-2014
• Subjects: 3D-QSAR; Fluorinated phenyl; Herbicidal activities; Pyrimidine; QSAR; 合成; 嘧啶; 抗除草剂; 氟化; 生物学评价; 甲基苯基; 脲衍生物; QSAR; Herbicidal activities; Fluorinated phenyl; Pyrimidine
• ISSN: 1001-8417; 1878-5964
• DOI: 10.1016/j.cclet.2014.03.046

With the increase of herbicide-resistant weeds, novel, more selective and even more potent herbicides to control weeds are needed. In this paper, a series of N-fluorinated phenyl-N＇-pyrimidyl urea derivatives were synthesized and screened for their herbicidal activities against Amaranthus retroflexus （AR） and Setaria viridis （ SV）. Compound 2S （N-（3-trifluoromethylphenyl）-N＇-（2-amino-4-chloro-6-methylpyr- imidyl） urea） exhibited marked herbicidal activity against SV（IC50 =11.67 mg/L） and is more potent than bensulfuron （IC50= 27.45 mg/L）, a commercially available herbicide. A statistically significant CoMFA model with high prediction abilities （q2 = 0.869, r2 = 0.989） was obtained.