Benzoic acid and their derivatives salicylates is important compound with biologoical, pharmaceutical and wide industrial applications. These were used as anti inflammatory and disinfectant drug in the pharmaceutical applications. Benzoic acid is a colorless crystalline solid and the simplest aromatic carboxylic acid. The name derived from gum benzoin, which Benzoic acid and its salts are used as a food preservatives,One of the purposes of this project is the synthesis of several family of these compounds reagent with anti-cancer properties. First, the friedel-crafts acylation reaction of 1,4-dimethoxy benzene, 1,3-dimethoxy and 1,2-dimethoxy benzene was used with chloroformate and acetic anhydride acylating. The appropriate catalyst role, kind and amount were investigated. Optimized condition in term of reaction time and temperature was studied. Catalyst such as aluminium trichloride, zinc chloride, ionic liquid (3-Carboxy piridinium hydrogen sulphate) and boran trifloride and ionic liquid (green chemistry) were used. Ionic liquids, being composed entirely of ions, were once mainly of interest to electrochemists. Recently, however, it has become apparent that, inter alia, their lack of measurablevapor pressure characterizes them as green solvents, and that a wide range of chemical reactions can be performed in them. The synthesized salicylate compounds were characterized by melting points, 1H-NMR, and FT-IR. In the second part of this project, the effect of various substituent on the intermolecular hydrogen bonding and total energy of the 18-membered ring dimer of binaphtol derivatives [H, CH3, Et, C7H15, t-Bu, Ph, Bz] were studied using Ms-Modeling at standard DNP basis set. The total energy, relative energy, bond length, and bond angle were calculated from the optimized geometries. Diastereoselective formation of 18-membered ring covalent hydrogen bonds also was investigated. The Hammett correlation was studied for all dimers. DMOL3 and HF levels of theory using the standard 6-311+G* basis set. Conformational analysis of these compounds was performed. Bond length, bond angle and total energy of compounds were calculated using PW91/DNP and HF/6-31G* functions. Good agreement between bond length, bond angle and total energy of two computational methods were obtained. The calculated total energy obtained with the two methods were compared. During studies aimed at developing new chiral phosphine ligands analysis based on the binaphthol backbone, we accidentally discovered a dimeric structure maintained by two exceptionally strong hydrogen-bonds, and this work is described here Hydrogen-bonding plays a key role in biology and in chemistry and remains a topic of intense current interest, as judged by an enormous continuing amount of literature. Factors determining the strength of a hydrogen-bond, other than electronegativities of the donor and acceptor atoms, remain of interest. Factors determining the strength of a hydrogen-bond, other than electronegativities of the donor and acceptor atoms, remain of interest. The monomers, being chiral at phosphorus coupled with the axial chirality of the BINOL moiety, can exist theoretically in four possible configurations (BINOLR-PR, BINOLR-PS, BINOLS-PS, BINOLS-PR). Of interest, both precursor monomers appear to dimerize selectively with their mirror images form the 18-membered ring dimers ; certainly the structurally characterized dimer has the configuration( BINOLR-PS : BINOLS-PR), maintained by two strong hydrogen-bonds.