Direct H/OR and OR/OR %26apos; Metathesis Pathways in Ester Hydrogenation and Transesterification by Milstein%26apos;s Catalyst

作者：Hasanayn Faraj^*; Baroudi Abdulkader

来源：Organometallics, 2013, 32(9): 2493-2496.

DOI：10.1021/om400122n

Using DFT calculations we identify a low-energy reaction path connecting methyl acetate and Milstein%26apos;s trans-[Ru(H)(2)(PNN)(CO)] catalyst directly with acetaldehyde and trans-[Ru(H)(OMe)(PNN)(CO)]. The transformation represents a metathesis in which a hydride and an alkoxide are swapped between a metal center and an acyl group. The reaction leads to a simple mechanism systematically applicable to the diverse hydrogenation and dehydrogenative coupling chemistry that can be achieved by the given catalyst.

• 出版日期2013-5-13