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Saeid Amani Komaei

Saeid Amani Komaei

Academic rank: Professor
ORCID:
Education: PhD.
ScopusId:
Faculty: Science
Address: Arak University
Phone:

Research

Title
Synthesis, characterization and computational studies of 2-cyano-6-methoxybenzothiazole as a firefly-luciferin precursor
Type
JournalPaper
Keywords
Keywords: 2-cyano-6-methoxybenzothiazole; 2-iodo- 6-methoxyenzothiazole; Cu catalyst; cyanation; DFT; firefly luciferin; K4[Fe(CN)6].
Year
2018
Journal Heterocyclic Communications
DOI
Researchers Qasem Shahmoradi ، Saeid Amani Komaei

Abstract

Abstract: A novel approach to the synthesis of 2-cyano- 6-methoxybenzothiazole via the Cu-catalyzed cyanation of 2-iodo-6-methoxybenzothiazole was developed. K4[Fe(CN)6] was used as a source of cyanide, and a Cu/N,N,N′,N′-tetramethylethylenediamine (TMEDA) system was utilized as a catalyst. This approach is scalable and can be practiced with operational benign. The most stable conformation of 2-cyano-6-methoxybenzothiazole was delineated using the density functional theory (DFT)/ B3LYP method with 6-311++G(d, p) basis set.