Kirillova Marina V, Kirillov Alexander M, Kuznetsov Maxim L, Silva José A L, Fraústo da Silva João J R, Pombeiro Armando J L
Centro de Química Estrutural, Complexo I, Instituto Superior Técnico, TU Lisbon, Av. Rovisco Pais, 1049-001, Lisbon, Portugal.
Chem Commun (Camb). 2009 May 7(17):2353-5. doi: 10.1039/b900853e. Epub 2009 Mar 9.
A convenient and clean route to transform, in aqueous medium, various alkanes to carboxylic acids via single-pot carboxylation with CO and water, under mild conditions, has been achieved, proceeding efficiently and selectively even without any metal catalyst and any acid additive, at low temperatures; the relevant hydroxylating role of H(2)O and radical mechanisms are disclosed by radical-trap, H(2)(18)O and DFT studies.
已经实现了一种便捷且清洁的途径,即在水介质中,通过与一氧化碳和水进行单锅羧化反应,在温和条件下将各种烷烃转化为羧酸。即使在低温下,无需任何金属催化剂和任何酸添加剂,该反应也能高效且选择性地进行;通过自由基捕获、H₂¹⁸O和密度泛函理论(DFT)研究揭示了H₂O的相关羟基化作用和自由基机理。