FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1992034166> ?p ?o ?g. }

• W1992034166 endingPage "9840" @default.
• W1992034166 startingPage "9831" @default.
• W1992034166 abstract "A B3LYP/6-31G* study has been carried out for the reactions of methacrolein with cyclopentadiene, parent nitrone, 1-pyrroline-1-oxide, and (Z)-C,N-diphenylnitrone, in which the coordination of a Lewis acid (borane) and the solvent polarity (dichloromethane) have been taken into account. Calculated activation parameters, regioselectivities (for 1,3-dipolar cycloaddition reactions), and endo/exo stereoselectivities show good agreement with available experimental data. Gas-phase calculations show a varied behavior of the s-cis/s-trans TS stability for noncatalyzed reactions (from the systematic s-cis preference for the cyclopentadiene reaction to the systematic s-trans predilection encountered in the diphenylnitrone cycloaddition). BH3 coordination leads to a preferential stabilization of s-trans TSs in the reactions of cyclopentadiene (exo approach) and diphenylnitrone but a larger stabilization of s-cis structures in the processes involving the parent nitrone or 1-pyrroline-1-oxide. Additionally, a rather systematic preferential stabilization of s-trans structures is induced by solvent polarity in most reactions. As a consequence, an s-trans preference is predicted in solution for both thermal and catalyzed types of reactions in most approaches. Such a conclusion is consistent with some experimental results suggesting a preference for a particular conformation of the methacrolein-Lewis acid complexes." @default.
• W1992034166 created "2016-06-24" @default.
• W1992034166 creator A5010204088 @default.
• W1992034166 creator A5027374882 @default.
• W1992034166 creator A5028624705 @default.
• W1992034166 creator A5034426643 @default.
• W1992034166 creator A5037149895 @default.
• W1992034166 creator A5073967119 @default.
• W1992034166 creator A5088010650 @default.
• W1992034166 date "2006-12-01" @default.
• W1992034166 modified "2023-10-14" @default.
• W1992034166 title "Conformational Preferences of Methacrolein in Diels−Alder and 1,3-Dipolar Cycloaddition Reactions" @default.
• W1992034166 cites W1965580834 @default.
• W1992034166 cites W1966514948 @default.
• W1992034166 cites W1971641702 @default.
• W1992034166 cites W1972024949 @default.
• W1992034166 cites W1973184139 @default.
• W1992034166 cites W1980748793 @default.
• W1992034166 cites W1981079408 @default.
• W1992034166 cites W1981505000 @default.
• W1992034166 cites W1981802920 @default.
• W1992034166 cites W1982783613 @default.
• W1992034166 cites W1992735784 @default.
• W1992034166 cites W1993978645 @default.
• W1992034166 cites W1993994669 @default.
• W1992034166 cites W1995799282 @default.
• W1992034166 cites W1995847703 @default.
• W1992034166 cites W1996287295 @default.
• W1992034166 cites W1998695284 @default.
• W1992034166 cites W2000347130 @default.
• W1992034166 cites W2021790630 @default.
• W1992034166 cites W2022633025 @default.
• W1992034166 cites W2023841496 @default.
• W1992034166 cites W2025384859 @default.
• W1992034166 cites W2028009587 @default.
• W1992034166 cites W2030972556 @default.
• W1992034166 cites W2031646196 @default.
• W1992034166 cites W2039701983 @default.
• W1992034166 cites W2040947771 @default.
• W1992034166 cites W2042926233 @default.
• W1992034166 cites W2047140240 @default.
• W1992034166 cites W2047282411 @default.
• W1992034166 cites W2049918677 @default.
• W1992034166 cites W2057710108 @default.
• W1992034166 cites W2060412313 @default.
• W1992034166 cites W2060458322 @default.
• W1992034166 cites W2061879986 @default.
• W1992034166 cites W2070002819 @default.
• W1992034166 cites W2072581106 @default.
• W1992034166 cites W2080377680 @default.
• W1992034166 cites W2085600628 @default.
• W1992034166 cites W2086537505 @default.
• W1992034166 cites W2087037012 @default.
• W1992034166 cites W2090840585 @default.
• W1992034166 cites W2099629334 @default.
• W1992034166 cites W2106552368 @default.
• W1992034166 cites W2116892350 @default.
• W1992034166 cites W2140737058 @default.
• W1992034166 cites W2146002457 @default.
• W1992034166 cites W2149148349 @default.
• W1992034166 cites W2151607320 @default.
• W1992034166 cites W2167946031 @default.
• W1992034166 cites W2952056477 @default.
• W1992034166 cites W2952077518 @default.
• W1992034166 doi "https://doi.org/10.1021/jo062200k" @default.
• W1992034166 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17168603" @default.
• W1992034166 hasPublicationYear "2006" @default.
• W1992034166 type Work @default.
• W1992034166 sameAs 1992034166 @default.
• W1992034166 citedByCount "34" @default.
• W1992034166 countsByYear W19920341662012 @default.
• W1992034166 countsByYear W19920341662013 @default.
• W1992034166 countsByYear W19920341662014 @default.
• W1992034166 countsByYear W19920341662015 @default.
• W1992034166 countsByYear W19920341662016 @default.
• W1992034166 countsByYear W19920341662017 @default.
• W1992034166 countsByYear W19920341662018 @default.
• W1992034166 countsByYear W19920341662019 @default.
• W1992034166 countsByYear W19920341662021 @default.
• W1992034166 crossrefType "journal-article" @default.
• W1992034166 hasAuthorship W1992034166A5010204088 @default.
• W1992034166 hasAuthorship W1992034166A5027374882 @default.
• W1992034166 hasAuthorship W1992034166A5028624705 @default.
• W1992034166 hasAuthorship W1992034166A5034426643 @default.
• W1992034166 hasAuthorship W1992034166A5037149895 @default.
• W1992034166 hasAuthorship W1992034166A5073967119 @default.
• W1992034166 hasAuthorship W1992034166A5088010650 @default.
• W1992034166 hasConcept C147597530 @default.
• W1992034166 hasConcept C155647269 @default.
• W1992034166 hasConcept C161790260 @default.
• W1992034166 hasConcept C163638829 @default.
• W1992034166 hasConcept C166940927 @default.
• W1992034166 hasConcept C178790620 @default.
• W1992034166 hasConcept C185592680 @default.
• W1992034166 hasConcept C2775968528 @default.
• W1992034166 hasConcept C2777419590 @default.
• W1992034166 hasConcept C2778176622 @default.
• W1992034166 hasConcept C2779440280 @default.

• next