抗生素TAN - 1085合成中环加成反应串联的密度泛函理论研究
DFT study of pericyclic reaction cascades in the synthesis of antibiotic TAN-1085.
作者信息
Akerling Zeve R, Norton Joseph E, Houk K N
机构信息
Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095-1569, USA.
出版信息
Org Lett. 2004 Nov 11;6(23):4273-5. doi: 10.1021/ol048277h.
PMID:15524461
Abstract
DFT calculations show that aromatic and bis-methoxy substituent effects in a synthetic precursor of TAN-1085 strongly favor a [1,7] sigmatropic hydrogen shift over the 6 pi electrocyclic pathway, rendering the latter unfavorable in synthesis.
摘要
密度泛函理论计算表明，在TAN - 1085的合成前体中，芳香族和双甲氧基取代基效应强烈有利于[1,7] 迁移氢迁移而非6π电环化途径，使得后者在合成中不利。
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