Heterocyclic Rearrangements. A Semiempirical Study of a Degenerate Rearrangement in the 1,2,4-Oxadiazole Series
Тип публикации: Journal Article
Дата публикации: 1991-01-01
SCImago Q4
БС4
SJR: 0.139
CiteScore: 1.5
Impact factor: 0.8
ISSN: 03855414, 18810942
Organic Chemistry
Pharmacology
Analytical Chemistry
Краткое описание
A semiempirical approach to the degenerate rearrangement of the 3-acetylamino-5-methyl-1,2,4-oxadiazole is reported. Quantum mechanical calculation at the MNDO and AM1 level have been carried out for the anionic form of the acetylaminooxadiazole and for the transition state. The theoretical value of activation energy for the degenerate process has been compared with the experimental free energy of activation previously obtained by the dynamic 1 H-nmr. The calculations have been also extended to the different conformers of the anionic acetylamino moiety and to the conformational processes
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La Manna G. et al. Heterocyclic Rearrangements. A Semiempirical Study of a Degenerate Rearrangement in the 1,2,4-Oxadiazole Series // Heterocycles. 1991. Vol. 32. No. 8. p. 1547.
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La Manna G., Buscemi S., Frenna V., Vivona N., Spinelli D. Heterocyclic Rearrangements. A Semiempirical Study of a Degenerate Rearrangement in the 1,2,4-Oxadiazole Series // Heterocycles. 1991. Vol. 32. No. 8. p. 1547.
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TY - JOUR
DO - 10.3987/COM-91-5755
UR - https://doi.org/10.3987/COM-91-5755
TI - Heterocyclic Rearrangements. A Semiempirical Study of a Degenerate Rearrangement in the 1,2,4-Oxadiazole Series
T2 - Heterocycles
AU - La Manna, Gianfranco
AU - Buscemi, Silvestre
AU - Frenna, Vincenzo
AU - Vivona, Nicol
AU - Spinelli, Domenico
PY - 1991
DA - 1991/01/01
PB - The Japan Institute of Heterocyclic Chemistry
SP - 1547
IS - 8
VL - 32
SN - 0385-5414
SN - 1881-0942
ER -
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@article{1991_La Manna,
author = {Gianfranco La Manna and Silvestre Buscemi and Vincenzo Frenna and Nicol Vivona and Domenico Spinelli},
title = {Heterocyclic Rearrangements. A Semiempirical Study of a Degenerate Rearrangement in the 1,2,4-Oxadiazole Series},
journal = {Heterocycles},
year = {1991},
volume = {32},
publisher = {The Japan Institute of Heterocyclic Chemistry},
month = {jan},
url = {https://doi.org/10.3987/COM-91-5755},
number = {8},
pages = {1547},
doi = {10.3987/COM-91-5755}
}
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La Manna, Gianfranco, et al. “Heterocyclic Rearrangements. A Semiempirical Study of a Degenerate Rearrangement in the 1,2,4-Oxadiazole Series.” Heterocycles, vol. 32, no. 8, Jan. 1991, p. 1547. https://doi.org/10.3987/COM-91-5755.
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