98436-51-2

Upstream product

• 1076-38-6 4-hydroxy[1]benzopyran-2-one 
• 2555-37-5 3-acetyl-4-hydroxychromen-2-one 
• 4438-85-1 3H-chromene-2,4-dione 
• 7726-95-6 bromine 
• 64-19-7 acetic acid 
• 67-56-1 methanol 

Downstream Products

• 22362-66-9 3,5-dibromo-2-hydroxyacetophenone 

Relevant academic research and scientific papers

Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of 2, 2, 2-tribromo-1-(3,5-dibromo-2-hydroxyphenyl)ethanone

A novel derivative 2, 2, 2-tribromo-1- (3,5-dibromo-2-hydroxyphenyl) ethanone was synthesis by “3-acetyl-4-hydroxycoumarin” and dibromide. The structural properties of the synthesized compound have been exploited with the aid of single-crystal X-ray crystallographic studies and infrared spectrometry. The compound crystallizes in the monoclinic system with space group P21/c. A comparative study between the novel brominated compound synthesized and the brominated coumarin derivative is presented. The optimized DFT geometries (B3PW91/6–311 G (2df, p)) and the spectral simulations of two derivatives compared agree well with the experimental data. Hirshfeld's analysis revealed the importance of Br ··· Br (40%) and Br ··· H/H ··· Br (19%) of the total surface contacts in the molecular stack. The contacts O···H/H···O have a significant contribution for the brominated coumarin (C2) of 26.1% of SH compared to the brominated cycle (C1) 9.7%.

Substituted alkylaryl ketones and methods of use as herbicides

Ring and side chain substituted alkylaryl ketones are useful in controlling the growth of germinating and seedling weed grasses and germinating and seedling broadleaf weeds.