The current work utilizes the ab initio density functional theory (DFT) to develop a molecular level of the mechanistic understanding on the phenol alkylation in the presence of a cation-exchange resin catalyst, Amberlyst-15. The catalyst is modeled with the benzene sulfonic acid, and the effect of this acid on olefins such as isopropene (i-Pr) and tributene (t-Bu) in a phenol solution mimics t...

qspr study on benzene derivatives have been made using recently introduced topological methodology. in this study the relationship between the randic' (x'), balaban (j), szeged (sz),harary (h), wiener (w), hyperwiener and wiener polarity (wp) to the thermal energy (eth), heat capacity (cv) and entropy (s) of benzene derivatives is represented.physicochemical properties are taken from the quantu...

complexes of the type (och2c(ch3)2ch2ob)2s2p(s)or (where r=me,et,pri,bui,ph,ch2ph) have beensynthesized by the reactions of 2-chloro-1,3,2-dioxaborinanes and potassium salt of o-alkyl (o-aryl)trithiophosphates in 2:1 molar ratio in refluxing benzene. the product are formed as white or light yellowcoloured monomeric solid, soluble in common organic solvents and exhibit high sensitivity towardsat...

Surfactant is one of chemical substances added in detergent. The surfactant type detergent anionic surfactant, namely Alkyl Benzene Sulfonate (ABS). a slow-degradable substance due to branched chain its structure, which causes low oxygen supply from the air foam covering water surface. This condition can cause dangerous impact for organisms water.This study aimed adsorb contained sewage using c...

New dimeric, trimeric and tetrameric quaternary ammonium salts were accomplished by reaction of tertiary alkyldimethyl amines with appropriate bromomethylbenzene derivatives. A series of new cationic surfactants contain different alkyl chain lengths (C4-C18), aromatic spacers and different numbers of quaternary nitrogen atoms. The structure of the products was confirmed by spectral analysis (FT...

Hydrocarbons are still the most important precursors of functionalized organic molecules, which has stirred interest in the discovery of new C-H bond functionalization methods. We describe herein a new step-economical approach that enables C-C bonds to be constructed at the terminal position of linear alkanes. First, we show that secondary alkyl bromides can undergo in situ conversion into alky...

A series of benzyl propargyl ethers were synthesized and tested as inhibitors of 5-lipoxygenase, the key enzyme involved in leukotriene biosynthesis. Among these, optimum activity was displayed by 1-(2-heptynyloxymethyl) benzene 12 (IC50 1.2 microM). Addition of carboxyl group at the end of the alkyl side chain attached to the acetylenic group abolished the inhibition. Selective reduction of th...

[1] Modification of continental land for agricultural use has increased over the last century. Atmospheric impact of this land use change has only been addressed for a few ecosystems and compounds. This paper provides, to date, the most comprehensive examination of gaseous emissions from rice paddies. We report seasonal emission ranges and integrated emission totals for 55 chemical species. Thi...