Substituent Effects in Benz[a]anthracene Carbocations:  A Stable Ion, Electrophilic Substitution (Nitration, Bromination), and DFT Study†

2007 ◽  
Vol 72 (18) ◽  
pp. 6768-6775 ◽  
Author(s):  
Kenneth K. Laali ◽  
Maria A. Arrica ◽  
Takao Okazaki ◽  
Ronald G. Harvey
Keyword(s):  
Electrophilic Substitution ◽  
Substituent Effects ◽  
Dft Study

scholarly journals Substituent effects on antioxidant activity of monosubstituted indole-3-carbinols: A DFT study

2019 ◽  
Vol 57 (6) ◽  
pp. 728-734
Author(s):  
Vo Van Quan ◽  
Ho Thi Phu ◽  
Pham Thi Thu Thao ◽  
Pham Cam Nam
Keyword(s):  
Antioxidant Activity ◽  
Substituent Effects ◽  
Dft Study

Competing Mechanisms, Substituent Effects, and Regioselectivities of Nickel-Catalyzed [2 + 2 + 2] Cycloaddition between Carboryne and Alkynes: A DFT Study

2015 ◽  
Vol 80 (18) ◽  
pp. 9108-9117 ◽  
Author(s):  
Wei-Hua Mu ◽  
Shu-Ya Xia ◽  
Ji-Xiang Li ◽  
De-Cai Fang ◽  
Gang Wei ◽  
...  
Keyword(s):  
Substituent Effects ◽  
Dft Study

Electrophilic Substitution Reactions of [1]Benzothieno[3,2-b]furan

1996 ◽  
Vol 61 (6) ◽  
pp. 888-900 ◽  
Author(s):  
Jiří Svoboda ◽  
Pavel Pihera ◽  
Petr Sedmera ◽  
Jaroslav Paleček
Keyword(s):  
Electrophilic Substitution ◽  
Nmr Spectra ◽  
Substituent Effects ◽  
Substitution Reactions ◽  
Nmr Parameters ◽  
Elimination Mechanism ◽  
Electrophilic Substitution Reactions ◽  
C Nmr

In chlorination, bromination, iodination, nitration, sulfonation, formylation, and trifluoroacetylation of [1]benzothieno[3,2-b]furan (1) the substituent enters the 2-position. The said halogenations go by the addition-elimination mechanism. When the substitution is continued, the second substituent enters the 6-position of heterocycle 1. The 1H and 13C NMR spectra have been completely assigned. Substituent effects on NMR parameters are discussed.

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