SYNTHESIS AND THEORETICAL STUDY OF 4-ACETYL-5-(2-NAPHTYL)-2,3-DIHYDRO-2,3-FURANDIONE WITH SOME NITROGENOUS NUCLEOPHILES

Authors : Murat SARACOGLU, Fatma KANDEMİRLİ, Ayhan ÖZALP, Zülbiye KÖKBUDAK

Pages : 24-25

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Publication Date : 2016-08-01

Article Type : Research Paper

Abstract :The 2,4-dioxopentanoic acid derivatives insert ignore into journalissuearticles values(3d-f); were obtained from the reaction of 4- acetyl-5-insert ignore into journalissuearticles values(1-naphthyl);furan-2,3-dione insert ignore into journalissuearticles values(1); with various nitrogenous nucleophiles insert ignore into journalissuearticles values(2d-f);. The structures of these newly synthesized compounds insert ignore into journalissuearticles values(3d-f); were determined from the FT-IR, 1H and 13C NMR spectroscopic data and elemental analyses. Theoretical Study of derivatives of insert ignore into journalissuearticles values(3Z);-3-{2-naphthyl[2- insert ignore into journalissuearticles values(4-nitrophenyl);hydrazino]methylene}-2,4-dioxopentanoic acid insert ignore into journalissuearticles values(3d-f); were carried out by using DFT/B3LYP method with basis set of the 6-311Ginsert ignore into journalissuearticles values(d,p); in order to find molecular properties by Gaussian 03 program [1]insert ignore into journalissuearticles values(see Schemes 1and 2);. According to EHOMO and softness values; electronic give trends for investigated molecules can be written as: 3f>3d>3e.The EHOMO and EHOMO energy gap of a measure of stability. Additionally, according to EHOMO and EHOMO energy gap; stability give trends for investigated molecules can be written as: 3e>3d>3f.
Keywords : Furan 2, 3 dione, Nitrogenous Nucleophiles, 2, 4 dioxopentanoic Acid, Quantum Chemical Calculations