Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (CIQUS) and Departamento de Química Orgánica, Universidade de Santiago de Compostela , 15782 Santiago de Compostela, Spain.
Department of Inorganic Chemistry, University Politehnica of Bucharest , 1, Polizu street, RO-011061 Bucharest, România.
Org Lett. 2017 Apr 7;19(7):1674-1677. doi: 10.1021/acs.orglett.7b00467. Epub 2017 Mar 27.
2-Alkenyltriflylanilides react with allenes upon treatment with catalytic amounts of Pd(OAc) and Cu(II) to give highly valuable 2,3-dihydro-1H-benzo[b]azepines, in good yields, and with very high regio- and diastereoselectivities. Density functional theory (DFT) calculations suggest that the C-H activation of the alkenylanilide involves a classical concerted metalation-deprotonation (CMD) mechanism.
2-烯基三氟甲酰胺与丙二烯在催化量的 Pd(OAc)和 Cu(II)作用下反应,以高收率和非常高的区域和立体选择性得到高价值的 2,3-二氢-1H-苯并[b]氮杂卓。密度泛函理论(DFT)计算表明,烯基苯胺的 C-H 活化涉及经典的协同金属化-去质子化(CMD)机制。