Structure-activity relationships for abiotic thiol reactivity and aquatic toxicity of halo-substituted carbonyl compounds was written by Schultz, T. W.;Ralston, K. E.;Roberts, D. W.;Veith, G. D.;Aptula, A. O.. And the article was included in SAR and QSAR in Environmental Research in 2007.Synthetic Route of C18H11BrO The following contents are mentioned in the article:
Using abiotic thiol reactivity (EC50) and Tetrahymena pyriformis toxicity (IGC50) data for a group of halo-substituted ketones, esters and amides (i.e. SN2 electrophiles) and related compounds a series of structure-activity relationships are illustrated. Only the α-halo-carbonyl-containing compounds are observed to be thiol reactive with the order I > Br > Cl > F. Further comparisons disclose α-halo-carbonyl compounds to be more reactive than non-α-halo-carbonyl compounds; in addition, the reactivity is reduced when the number of C atoms between the carbonyl and halogen is greater than one. Comparing reactivity among α-halo-carbonyl-containing compounds with different β-alkyl groups shows the greater the size of the β-alkyl group the lesser the reactivity. A comparison of reactivity data for 2-bromoacetyl-containing compounds of differing dimensions reveals little difference in reactivity. Regression anal. demonstrates a linear relationship between toxicity and thiol reactivity: log(IGC-150) = 0.848 log(EC-150) + 1.40; n = 19, s = 0.250, r2 = 0.926, r2(pred) = 0.905, F = 199, Pr > F = 0.0001. This study involved multiple reactions and reactants, such as 2-Bromo-1-(pyren-1-yl)ethanone (cas: 80480-15-5Synthetic Route of C18H11BrO).
2-Bromo-1-(pyren-1-yl)ethanone (cas: 80480-15-5) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Synthetic Route of C18H11BrO
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary