A one-pot, two-step reductive amination of araldehydes or acetophenones with anilines using NaBH 4 as a cheap hydride source and catalysed by CeCl 3 . 7H 2 O has been achieved in EtOH at room temperature in good yields.
The pyrolysis of methyl alkyl esters I to III and dithioesters IV to VI were theoretically calculated.
All possible pyrolysis paths were considered. Both esters and dithioesters presented three potential
paths via six-, four- and five-membered ring transition states, respectively. The calculation processes
were calculated using MP2/6-31G(d) set. In-depth theoretical analyses were also presented, including
NBO related analyses, synchronicities, and charge distributions, to reveal the detailed pyrolysis
process.
This paper focuses on the thermal elimination of alkenes from methyl alkyl thionacetates and thiolacetates. Three alkyl groups are calculated: ethyl, isopropyl and tert-butyl. Possible elimination mechanisms are considered, including six- and four-membered ring transition states for alkene elimination, four-membered ring isomerization and a possible five-membered ring decomposition. Theoretical calculations are performed with the MP2 method and the 6-31G* basis set. Wiberg bond indices are also summarized to monitor the reaction progress.
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