Matches in SemOpenAlex for { <https://semopenalex.org/work/W2791510302> ?p ?o ?g. }
- W2791510302 endingPage "38" @default.
- W2791510302 startingPage "29" @default.
- W2791510302 abstract "The [2 + 2 + 2] cyclotrimerization of diynes and nitrile provides an efficient method for the synthesis of pyridine and its derivatives which can be extended in the total synthesis of natural products. Use of Grubbs type ruthenium catalysts in the cyclotrimerization reaction expands the applicability of Ru(II) catalysts. Two plausible pathways, viz. metathesis and non-metathesis for the cyclotrimerization reaction between a diyne and a nitrile are elucidated with Grubbs second generation and Hoveyda-Grubbs catalysts using DFT techniques. A ruthenacyclobutene like complex is obtained as a stable intermediate in the metathesis pathway while the formation of a five membered metallacycle is invoked to explain the non-metathesis pathway using a decomposed catalyst. The study reveals the influence of N-substituents on N-heterocyclic ligands (NHC) as well as substituent on carbene ligand in controlling the energetic of both metathesis and non-metathesis pathways. Incorporating NHC ligand with reduced steric influence in catalyst design is desirable for improving the efficiency of cyclotrimerization reaction of alkynes with nitriles. If the catalyst is not decomposed, metathesis is the reaction route and the preferred product will be a benzene derivative. The heterocycle formation observed by Pérez-Castells et al. (Org. Lett.,14, 2012, 4982–4985) in presence of excess activated nitriles can only be described using the decomposed catalyst through a non-metathesis pathway." @default.
- W2791510302 created "2018-03-29" @default.
- W2791510302 creator A5022032224 @default.
- W2791510302 creator A5083009638 @default.
- W2791510302 date "2018-05-01" @default.
- W2791510302 modified "2023-09-23" @default.
- W2791510302 title "Grubbs and Hoveyda-Grubbs catalysts for pyridine derivative synthesis: Probing the mechanistic pathways using DFT" @default.
- W2791510302 cites W1965994123 @default.
- W2791510302 cites W1966103237 @default.
- W2791510302 cites W1966451323 @default.
- W2791510302 cites W1966889648 @default.
- W2791510302 cites W1967430682 @default.
- W2791510302 cites W1969115030 @default.
- W2791510302 cites W1986835327 @default.
- W2791510302 cites W2001212305 @default.
- W2791510302 cites W2001698532 @default.
- W2791510302 cites W2002159747 @default.
- W2791510302 cites W2003192950 @default.
- W2791510302 cites W2010835022 @default.
- W2791510302 cites W2011215428 @default.
- W2791510302 cites W2018050393 @default.
- W2791510302 cites W2018658887 @default.
- W2791510302 cites W2020037864 @default.
- W2791510302 cites W2020703322 @default.
- W2791510302 cites W2021104344 @default.
- W2791510302 cites W2024140827 @default.
- W2791510302 cites W2025290911 @default.
- W2791510302 cites W2026139164 @default.
- W2791510302 cites W2026234357 @default.
- W2791510302 cites W2030687437 @default.
- W2791510302 cites W2031996510 @default.
- W2791510302 cites W2036642067 @default.
- W2791510302 cites W2036793314 @default.
- W2791510302 cites W2037232050 @default.
- W2791510302 cites W2040557992 @default.
- W2791510302 cites W2042715701 @default.
- W2791510302 cites W2043935388 @default.
- W2791510302 cites W2047109196 @default.
- W2791510302 cites W2048145471 @default.
- W2791510302 cites W2049501901 @default.
- W2791510302 cites W2055452603 @default.
- W2791510302 cites W2060356720 @default.
- W2791510302 cites W2061565800 @default.
- W2791510302 cites W2063380868 @default.
- W2791510302 cites W2063454667 @default.
- W2791510302 cites W2068580249 @default.
- W2791510302 cites W2068927137 @default.
- W2791510302 cites W2073529495 @default.
- W2791510302 cites W2076514668 @default.
- W2791510302 cites W2078267101 @default.
- W2791510302 cites W2079417369 @default.
- W2791510302 cites W2082926387 @default.
- W2791510302 cites W2084508404 @default.
- W2791510302 cites W2086278096 @default.
- W2791510302 cites W2086957099 @default.
- W2791510302 cites W2087816203 @default.
- W2791510302 cites W2088752807 @default.
- W2791510302 cites W2091330739 @default.
- W2791510302 cites W2101955365 @default.
- W2791510302 cites W2111429300 @default.
- W2791510302 cites W2116741024 @default.
- W2791510302 cites W2123177357 @default.
- W2791510302 cites W2125157625 @default.
- W2791510302 cites W2131085797 @default.
- W2791510302 cites W2142566931 @default.
- W2791510302 cites W2144523940 @default.
- W2791510302 cites W2154255884 @default.
- W2791510302 cites W2155968467 @default.
- W2791510302 cites W2158492314 @default.
- W2791510302 cites W2161939663 @default.
- W2791510302 cites W2317705787 @default.
- W2791510302 cites W2325008489 @default.
- W2791510302 cites W2415597466 @default.
- W2791510302 cites W2465724637 @default.
- W2791510302 cites W2585290109 @default.
- W2791510302 cites W2586958901 @default.
- W2791510302 cites W2610171195 @default.
- W2791510302 cites W2756107048 @default.
- W2791510302 cites W2767085640 @default.
- W2791510302 cites W2949107460 @default.
- W2791510302 cites W2949413844 @default.
- W2791510302 cites W2950483405 @default.
- W2791510302 cites W2950623609 @default.
- W2791510302 cites W2951270390 @default.
- W2791510302 cites W2951452029 @default.
- W2791510302 cites W2952304378 @default.
- W2791510302 cites W2952827538 @default.
- W2791510302 doi "https://doi.org/10.1016/j.mcat.2018.03.002" @default.
- W2791510302 hasPublicationYear "2018" @default.
- W2791510302 type Work @default.
- W2791510302 sameAs 2791510302 @default.
- W2791510302 citedByCount "12" @default.
- W2791510302 countsByYear W27915103022019 @default.
- W2791510302 countsByYear W27915103022020 @default.
- W2791510302 countsByYear W27915103022021 @default.
- W2791510302 countsByYear W27915103022023 @default.
- W2791510302 crossrefType "journal-article" @default.
- W2791510302 hasAuthorship W2791510302A5022032224 @default.