2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic Acid

CAS: 120890-57-5

Ref. TR-C989318

Product Information

• Name: 2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic Acid
• Synonyms: 2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorobenzoic Acid
• Brand: TRC
• Description: Applications 2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic Acid is an intermediate in the synthesis of Saflufenacil-d7 (S081802). Saflufenacil-d7 is the labeled version of Saflufenacil (S081800), which is a herbicide of the pyrimidinedione chemical class used for the preplant burndown and selective preemergence dicot weed control in different field crops. It was found to inhibit protoporphyrinogen IX oxidase (PPO) enzyme.References Knezevic, S., et al.: Crop Prot., 29, 148 (2010); Grossmann, K., et al.: Weed Sci., 58, 1 (2010)

Chemical properties

• Molecular weight: 366.65
• Formula: C₁₃H₇ClF₄N₂O₄
• Color/Form: Neat
• InChI: InChI=1S/C13H7ClF4N2O4/c1-19-9(13(16,17)18)4-10(21)20(12(19)24)8-2-5(11(22)23)6(14)3-7(8)15/h2-4H,1H3,(H,22,23)
• InChI key: InChIKey=WFDLOUDEDOLTLC-UHFFFAOYSA-N
• SMILES: Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)O)c(Cl)cc2F)c1=O