《Synthesis, crystal structures, computational studies and α-amylase inhibition of three novel 1,3,4-oxadiazole derivatives》 was written by Hamdani, Syeda Shamila; Khan, Bilal Ahmad; Ahmed, Muhammad Naeem; Hameed, Shahid; Akhter, Kulsoom; Ayub, Khurshid; Mahmood, Tariq. Synthetic Route of C8H7FO2 And the article was included in Journal of Molecular Structure in 2020. The article conveys some information:
In this study, the synthesis, X-ray diffraction, d. functional theory (DFT) and α-amylase inhibition activities of three 1,3,4-oxadiazole derivatives I (R = F, MeO; R1 = 2-CF3, 3-CF3) have been reported. The compounds I are synthesized in good yields (70-83%) and their structures are confirmed through different spectro-anal. techniques and single crystal X-ray diffraction. D. functional theory (DFT) calculations are performed to validate not only X-ray results, but also to investigate the dispersion of charges and reactivity through frontier MOs and mol. electrostatic potential (MEP) analyses. α-Amylase inhibition assay is performed in order to find out the enzyme inhibitory potential of the synthesized compounds I. The low IC50 value (86.83 ± 0.23 μg/mL) of compound I (R = MeO, R1 = 2-CF3) reflects the potential α-amylase inhibitory activity of the compound as compared to others. In the experimental materials used by the author, we found Methyl 4-fluorobenzoate(cas: 403-33-8Synthetic Route of C8H7FO2)
Methyl 4-fluorobenzoate(cas: 403-33-8) can be used in the synthesis of trisubstituted imidazole derivatives containing a 4-fluorophenyl group, a pyrimidine ring, and a CN- or CONH2-substituted benzyl moiety.Synthetic Route of C8H7FO2
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