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Updated: Jun 22, 2026

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1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c':5,6-c'']trithiophene: a twisted heteroarene
Yao-Ting Wu1, Chia-Cheng Tai, Wei-Chih Lin
1Department of Chemistry, National Cheng Kung University, No.1 Ta-Hsueh Road, 70101, Tainan, Taiwan. ytwuchem@mail.ncku.edu.tw
Abstract:
1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c':5,6-c'']trithiophene (C-Me) was prepared by palladium-catalyzed methylations of the corresponding hexabromide C-Br. The twisted structure of C-Me has been confirmed by X-ray crystal analysis. The physical properties of twisted C-Me and planar benzo[1,2-c:3,4-c':5,6-c'']trithiophene (C-H) were studied and compared. Crystal structures are compared to computational structures determined using density functional theory, with both the M06-2X and B3PW91 functionals.
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