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Steric effects of ortho substituents on acid-catalyzed cyclization of thiocyanatoacetophenones

✍ Scribed by Merijanian, Ashot; Sharma, Gurdial M.; Moushati, John; Gunderson, Karl

Book ID
111658728
Publisher
American Chemical Society
Year
1986
Tongue
English
Weight
443 KB
Volume
51
Category
Article
ISSN
0022-3263

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The AM1 calculation was done for ortho-substituted toluenes (0-X-C,H,-CH,) and ortho-substituted tertbutylbenzenes (o-X-C&-t-Bu). The difference in the calculated heat of formation between o-X-C,H,-CH, and o-X-CJI,-t-Bu was used as a theoretical steric index for ortho-X. The correlation of this theo