Yang, Lijun; Wang, Dawei; Ma, Dejun; Zhang, Di; Zhou, Nuo; Wang, Jing; Xu, Han; Xi, Zhen published an article in 2021. The article was titled ãIn Silico Structure-Guided Optimization and Molecular Simulation Studies of 3-Phenoxy-4-(3-trifluoromethylphenyl)pyridazines as Potent Phytoene Desaturase Inhibitorsã? and you may find the article in Molecules.Formula: C7H12O3 The information in the text is summarized as follows:
A series of novel 3-phenoxy-4-(3-trifluoromethylphenyl)pyridazines I [R1 = Me, Et, CH(CH3)2, cyclopropyl; R2 = 3-F, 3-F-4-Br, 3,4,5-tri-F, etc.] were designed. The results showed that some of these new compounds showed a good herbicidal activity at the rate of 750 g ai/ha by both pre- and post-emergence applications, especially compound I [R1 = Me; R2 = 4-CF3], which displayed a comparable pre-emergence herbicidal activity to diflufenican at 300-750 g ai/ha, and a higher post-emergence herbicidal activity than diflufenican at the rates of 300-750 g ai/ha. Addnl., compound I [R1 = Me; R2 = 4-CF3] was safe to wheat by both pre- and post-emergence applications at 300 g ai/ha, showed the compound’s potential for weed control in wheat fields. Our mol. simulation studies revealed the important factors involved in the interaction between compound I [R1 = Me; R2 = 4-CF3] and Synechococcus PDS. This work provided a lead compound for weed control in wheat fields.Ethyl 3-oxopentanoate(cas: 4949-44-4Formula: C7H12O3) was used in this study.
Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Formula: C7H12O3
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics