Matches in SemOpenAlex for { <https://semopenalex.org/work/W2071517136> ?p ?o ?g. }
- W2071517136 endingPage "741" @default.
- W2071517136 startingPage "735" @default.
- W2071517136 abstract "Computational calculations of the hetero-Diels–Alder (HDA) reactions of benzaldehyde with 2,3-dimethyl-1,3-butadiene (DMB) catalyzed by BF3, EtAlCl2 or TiCl4 at the density functional theory (DFT) (B3LYP/6-31G(d,p)) level reveal that the reactions involve activation energy barriers of 14.59, 14.34, and 17.44 kcal mol−1, respectively. In the first two cases, reaction occurs through a concerted mechanism, whereas in the presence of TiCl4, stepwise mechanism involving zwitterionic intermediate is followed. The reaction with isoprene proceeds with complete regioselectivity leading to the expected regioisomer having O/Me in 1:4 positions. The computational results have been verified experimentally when aromatic aldehydes react with 1,3-dienes in the presence of a catalyst to give 3,6-dihydro-2H-pyran derivatives in high yields." @default.
- W2071517136 created "2016-06-24" @default.
- W2071517136 creator A5024197638 @default.
- W2071517136 creator A5066108228 @default.
- W2071517136 creator A5070149830 @default.
- W2071517136 date "2014-01-01" @default.
- W2071517136 modified "2023-10-17" @default.
- W2071517136 title "Hetero-Diels–Alder reaction of aromatic aldehydes catalyzed by titanium tetrachloride: computational and experimental results" @default.
- W2071517136 cites W177422599 @default.
- W2071517136 cites W1963737263 @default.
- W2071517136 cites W1964076018 @default.
- W2071517136 cites W1966020703 @default.
- W2071517136 cites W1966160183 @default.
- W2071517136 cites W1979262635 @default.
- W2071517136 cites W1986473729 @default.
- W2071517136 cites W1987165574 @default.
- W2071517136 cites W1998926896 @default.
- W2071517136 cites W2000547662 @default.
- W2071517136 cites W2000646472 @default.
- W2071517136 cites W2001240410 @default.
- W2071517136 cites W2003008592 @default.
- W2071517136 cites W2003025773 @default.
- W2071517136 cites W2005598974 @default.
- W2071517136 cites W2008844584 @default.
- W2071517136 cites W2011399458 @default.
- W2071517136 cites W2014767176 @default.
- W2071517136 cites W2017758076 @default.
- W2071517136 cites W2023271753 @default.
- W2071517136 cites W2027110976 @default.
- W2071517136 cites W2039885573 @default.
- W2071517136 cites W2058602224 @default.
- W2071517136 cites W2059975570 @default.
- W2071517136 cites W2066461963 @default.
- W2071517136 cites W2067805066 @default.
- W2071517136 cites W2070355652 @default.
- W2071517136 cites W2070519963 @default.
- W2071517136 cites W2077802543 @default.
- W2071517136 cites W2079458939 @default.
- W2071517136 cites W2079682034 @default.
- W2071517136 cites W2098727759 @default.
- W2071517136 cites W2105000240 @default.
- W2071517136 cites W2120367664 @default.
- W2071517136 cites W2129672190 @default.
- W2071517136 cites W2143981217 @default.
- W2071517136 cites W2161747039 @default.
- W2071517136 cites W2180606769 @default.
- W2071517136 cites W2949728757 @default.
- W2071517136 cites W2949788022 @default.
- W2071517136 cites W2951175814 @default.
- W2071517136 cites W2951677175 @default.
- W2071517136 cites W2953109906 @default.
- W2071517136 doi "https://doi.org/10.1016/j.tet.2013.11.077" @default.
- W2071517136 hasPublicationYear "2014" @default.
- W2071517136 type Work @default.
- W2071517136 sameAs 2071517136 @default.
- W2071517136 citedByCount "7" @default.
- W2071517136 countsByYear W20715171362015 @default.
- W2071517136 countsByYear W20715171362016 @default.
- W2071517136 countsByYear W20715171362017 @default.
- W2071517136 countsByYear W20715171362022 @default.
- W2071517136 countsByYear W20715171362023 @default.
- W2071517136 crossrefType "journal-article" @default.
- W2071517136 hasAuthorship W2071517136A5024197638 @default.
- W2071517136 hasAuthorship W2071517136A5066108228 @default.
- W2071517136 hasAuthorship W2071517136A5070149830 @default.
- W2071517136 hasConcept C147597530 @default.
- W2071517136 hasConcept C152365726 @default.
- W2071517136 hasConcept C155647269 @default.
- W2071517136 hasConcept C15920480 @default.
- W2071517136 hasConcept C161790260 @default.
- W2071517136 hasConcept C178790620 @default.
- W2071517136 hasConcept C185592680 @default.
- W2071517136 hasConcept C2777510880 @default.
- W2071517136 hasConcept C2779692420 @default.
- W2071517136 hasConcept C2779940776 @default.
- W2071517136 hasConcept C2780959689 @default.
- W2071517136 hasConcept C29135686 @default.
- W2071517136 hasConcept C521977710 @default.
- W2071517136 hasConcept C59759590 @default.
- W2071517136 hasConcept C65024703 @default.
- W2071517136 hasConcept C89031862 @default.
- W2071517136 hasConceptScore W2071517136C147597530 @default.
- W2071517136 hasConceptScore W2071517136C152365726 @default.
- W2071517136 hasConceptScore W2071517136C155647269 @default.
- W2071517136 hasConceptScore W2071517136C15920480 @default.
- W2071517136 hasConceptScore W2071517136C161790260 @default.
- W2071517136 hasConceptScore W2071517136C178790620 @default.
- W2071517136 hasConceptScore W2071517136C185592680 @default.
- W2071517136 hasConceptScore W2071517136C2777510880 @default.
- W2071517136 hasConceptScore W2071517136C2779692420 @default.
- W2071517136 hasConceptScore W2071517136C2779940776 @default.
- W2071517136 hasConceptScore W2071517136C2780959689 @default.
- W2071517136 hasConceptScore W2071517136C29135686 @default.
- W2071517136 hasConceptScore W2071517136C521977710 @default.
- W2071517136 hasConceptScore W2071517136C59759590 @default.
- W2071517136 hasConceptScore W2071517136C65024703 @default.
- W2071517136 hasConceptScore W2071517136C89031862 @default.
- W2071517136 hasFunder F4320321019 @default.