Matches in SemOpenAlex for { <https://semopenalex.org/work/W2046041047> ?p ?o ?g. }
- W2046041047 endingPage "3969" @default.
- W2046041047 startingPage "3958" @default.
- W2046041047 abstract "Density functional theory has been applied to gain insight into the Cp*Rh(OAc)2-catalyzed C–H activation and intermolecular annulation of benzamide derivatives with allenes. The study shows that the reactions proceed in three steps: (1) C–H activation induced by Rh catalyst reacting with benzamide derivatives, (2) carborhodation of allene, and (3) regeneration of Rh catalyst. The results indicate that the N–H deprotonation makes the following C–H activation much easier. The regio- and stereoselectivities of 1a (N-pivaloyloxy benzamide)/2a (cyclohexylallene) and 1b (N-pivaloyloxy-4-methyl-benzamide)/2b (1,1-dimethyl allene) depend on the allene carborhodation step. The steric hindrance effect is the dominant factor. We also discuss the reaction mechanism of 1c (N-methoxy benzamide)/2a. The chemoselectivity between 1c/2a is determined by the N–O cleavage step. Replacement of OPiv by OMe leads to loss of the stabilization effect provided by C═O in OPiv. Additionally, Cp*Rh(OAc)(OPiv) is produced in the Cp*Rh(OAc)2 regeneration step, which can work as catalyst as well." @default.
- W2046041047 created "2016-06-24" @default.
- W2046041047 creator A5001825375 @default.
- W2046041047 creator A5004948530 @default.
- W2046041047 creator A5031589981 @default.
- W2046041047 creator A5046155733 @default.
- W2046041047 creator A5064575734 @default.
- W2046041047 creator A5078081844 @default.
- W2046041047 date "2015-04-09" @default.
- W2046041047 modified "2023-10-11" @default.
- W2046041047 title "Density Functional Theory Study of Rh(III)-Catalyzed C–H Activations and Intermolecular Annulations between Benzamide Derivatives and Allenes" @default.
- W2046041047 cites W1964438912 @default.
- W2046041047 cites W1966182479 @default.
- W2046041047 cites W1967897724 @default.
- W2046041047 cites W1987207730 @default.
- W2046041047 cites W1999286141 @default.
- W2046041047 cites W1999511045 @default.
- W2046041047 cites W2006758620 @default.
- W2046041047 cites W2011215428 @default.
- W2046041047 cites W2011347857 @default.
- W2046041047 cites W2012780101 @default.
- W2046041047 cites W2014241587 @default.
- W2046041047 cites W2018886758 @default.
- W2046041047 cites W2020559236 @default.
- W2046041047 cites W2022590925 @default.
- W2046041047 cites W2023271753 @default.
- W2046041047 cites W2024983608 @default.
- W2046041047 cites W2028632252 @default.
- W2046041047 cites W2029266122 @default.
- W2046041047 cites W2036044855 @default.
- W2046041047 cites W2044349280 @default.
- W2046041047 cites W2044490585 @default.
- W2046041047 cites W2044941289 @default.
- W2046041047 cites W2046189637 @default.
- W2046041047 cites W2046412723 @default.
- W2046041047 cites W2050791488 @default.
- W2046041047 cites W2055695306 @default.
- W2046041047 cites W2065813156 @default.
- W2046041047 cites W2066309940 @default.
- W2046041047 cites W2068617439 @default.
- W2046041047 cites W2069380600 @default.
- W2046041047 cites W2078571783 @default.
- W2046041047 cites W2079458939 @default.
- W2046041047 cites W2081426715 @default.
- W2046041047 cites W2085336624 @default.
- W2046041047 cites W2085441037 @default.
- W2046041047 cites W2086957099 @default.
- W2046041047 cites W2091567820 @default.
- W2046041047 cites W2094642658 @default.
- W2046041047 cites W2105554902 @default.
- W2046041047 cites W2126736342 @default.
- W2046041047 cites W2139376946 @default.
- W2046041047 cites W2141385390 @default.
- W2046041047 cites W2143981217 @default.
- W2046041047 cites W2145269241 @default.
- W2046041047 cites W2150697053 @default.
- W2046041047 cites W2150911938 @default.
- W2046041047 cites W2152897751 @default.
- W2046041047 cites W2156365267 @default.
- W2046041047 cites W2157406716 @default.
- W2046041047 cites W2158832515 @default.
- W2046041047 cites W2161378448 @default.
- W2046041047 cites W2162721076 @default.
- W2046041047 cites W2315356905 @default.
- W2046041047 cites W2316321048 @default.
- W2046041047 cites W2318805924 @default.
- W2046041047 cites W2319298781 @default.
- W2046041047 cites W2320469460 @default.
- W2046041047 cites W2320715866 @default.
- W2046041047 cites W2322629797 @default.
- W2046041047 cites W2324880444 @default.
- W2046041047 cites W2327124060 @default.
- W2046041047 cites W2329254026 @default.
- W2046041047 cites W2330568652 @default.
- W2046041047 cites W2332035887 @default.
- W2046041047 cites W2333886206 @default.
- W2046041047 cites W2950341546 @default.
- W2046041047 cites W4205609816 @default.
- W2046041047 cites W4243372667 @default.
- W2046041047 doi "https://doi.org/10.1021/acs.inorgchem.5b00134" @default.
- W2046041047 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25856513" @default.
- W2046041047 hasPublicationYear "2015" @default.
- W2046041047 type Work @default.
- W2046041047 sameAs 2046041047 @default.
- W2046041047 citedByCount "23" @default.
- W2046041047 countsByYear W20460410472015 @default.
- W2046041047 countsByYear W20460410472016 @default.
- W2046041047 countsByYear W20460410472017 @default.
- W2046041047 countsByYear W20460410472018 @default.
- W2046041047 countsByYear W20460410472019 @default.
- W2046041047 countsByYear W20460410472020 @default.
- W2046041047 crossrefType "journal-article" @default.
- W2046041047 hasAuthorship W2046041047A5001825375 @default.
- W2046041047 hasAuthorship W2046041047A5004948530 @default.
- W2046041047 hasAuthorship W2046041047A5031589981 @default.
- W2046041047 hasAuthorship W2046041047A5046155733 @default.
- W2046041047 hasAuthorship W2046041047A5064575734 @default.
- W2046041047 hasAuthorship W2046041047A5078081844 @default.