Friedel‐crafts acylalion of 3‐carboxymethylbenzo[ B ] thiophenes, LIS‐nmr and HOMO study of regioselectivity | Zendy

Hannoun M. | Zendy; Blazević A. | Zendy; Kolbah D. | Zendy; Sabljiéa A. | Zendy; Trinajstić N. | Zendy; Sega A. | Zendy; Lisini A. | Zendy; Kajfež F. | Zendy; Šunjić V. | Zendy

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Friedel‐crafts acylalion of 3‐carboxymethylbenzo[ B ] thiophenes, LIS‐nmr and HOMO study of regioselectivity

Author(s) -

Hannoun M.,

Blazević A.,

Kolbah D.,

Sabljiéa A.,

Trinajstić N.,

Sega A.,

Lisini A.,

Kajfež F.,

Šunjić V.

Publication year - 1979

Publication title -

journal of heterocyclic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.321

H-Index - 59

eISSN - 1943-5193

pISSN - 0022-152X

DOI - 10.1002/jhet.5570160539

Subject(s) - chemistry , regioselectivity , friedel–crafts reaction , carbon 13 nmr , nmr spectra database , acetylation , stereochemistry , computational chemistry , medicinal chemistry , spectral line , organic chemistry , catalysis , biochemistry , physics , astronomy , gene

3‐Carboxymethylbenzo[ b ] thiophenes give on benzoylation and acetylation, two pairs of isomers, 2/3 and 4/5, respectively. It is determined by the combined nmr spectroscopic analysis (360 MHz and calculated spectra, LIS‐nmr) and HOMO calculations of the electron densities on positively charged 1, that 2 and 4 are 4‐substituted, while 3 and 5 are 6‐substituted isomers.

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