Abstract :
Having reviewed and acquired all of the synthesis methods of the specified compound, a new model encompassing; finding applications of the compound and naturally available compounds of the desired functions, evaluation and study of the physicochemical characteristics of the found natural chemicals using PASS software and, theoretical design of structural homologues of the natural compounds and evaluating their properties using PASS software was developed. The results acquired from the software were cross-checked using different software and the results verified by 5 analytical softwares to find.Using this model allows the study of natural sources compounds of desired characteristics and applications as well as designing other suitable homologs for synthesis. a group of compounds studied by using this model, was malodorants emitted by skaunks (as a naturalmaterial). The comparison of the characteristics was performed using the PASS software and thecross checking was carried out using the Q-SAR method using Dragon, Codessa, Stepwise, GA and MLR software. 84 homologs of thietane, which is emitted by skunks were sorted out based on the order of importance and priority with respect to negative Pa≤20 and positive Pa≥80.The first seven compounds were:1) 2-Methyl Thietane 2) 2-Ethyl Thietane 3) 2-Propyl Thietane4) 2,4-Diethyl Thietane 5) 2-Butyl Thietane 6) 2,3,4-Triethyl Thietane7) 2,2,4-Triethyl ThietaneCompounds 1, 5, 6 and 7 were among homologs of thietane and compounds 2, 3, and 4 were of the bad smelling compounds of skunk. All the studies were based on the characteristics of thietane with regard to security and military applications. To study the safety application of thietane, all steps were also performed for the compounds present in natural gas (13 thiol and thioether derivatives). Next, a comparison was made between the 13 compounds and the first 7 thietane derivatives. The results revealed the top 7 titan derivatives were better with respect to less toxicity and better characteristics. Comparing the statistical tables also confirmed the priority of the thietane derivatives. 2-Methyl Thietane and 2-Ethyl Thietane (one of the compounds in the bad smell of skunk) were synthesized. To this end, all the methods of preparing the compounds were studied and summarized in a table. The SN2 nucleophilic substitution using 1, 3-dibromoalkanes and Na2S was chosen. The high yield, simplicity of steps, accessibility of the ingredients and the reaction speed were among the reasons for choosing the method. The synthesis of the compounds was verified using IR, MS, 1HNMR,and CNMR.
Keyword :
IJMTST