A Combined Synthetic and DFT Study on the Catalyst‐Free and Solvent‐Assisted Synthesis of 1,3,4‐Oxadiazole‐2‐thiol Derivatives | Zendy

Mohammad SoleimanBeigi | Zendy; Reza Aryan | Zendy; Maryam Yousofizadeh | Zendy; Shima Khosravi | Zendy

Open Access

A Combined Synthetic and DFT Study on the Catalyst‐Free and Solvent‐Assisted Synthesis of 1,3,4‐Oxadiazole‐2‐thiol Derivatives

Author(s) -

Mohammad SoleimanBeigi,

Reza Aryan,

Maryam Yousofizadeh,

Shima Khosravi

Publication year - 2012

Publication title -

journal of chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.436

H-Index - 50

eISSN - 2090-9063

pISSN - 2090-9071

DOI - 10.1155/2013/476358

Subject(s) - chemistry , solvation , oxadiazole , catalysis , thiol , solvent , solvent effects , ab initio , computational chemistry , combinatorial chemistry , selectivity , organic chemistry

A novel practical and efficient catalyst-free method for the synthesis of 5-substituted 1,3,4-oxadiazole-2-thiols has been developed, which is assisted by reaction solvent (DMF). The solvent effects on product selectivity were studied based on Onsager’s reaction field theory of electrostatic solvation. The ab initio theoretical studies on the effect of solvents on the process also supported the suitability of DMF as the reaction medium for the preparation of 1,3,4-oxadiazole-2-thiol derivatives

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