FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3161036655> ?p ?o ?g. }

• W3161036655 abstract "Abstract Bis(amino)cyclopropenylidenes (BACs) are the newly discovered umpolung catalysts with potential applications in the synthesis of numerous important organic moieties. A plausible mechanism for bis(diethylamino)cyclopropenylidene (Et‐BAC) catalysed synthesis of 1,4‐diketones has been investigated using density functional theory (DFT). The proposed catalytic cycle initiates with the nucleophilic interaction of in situ generated Et‐BAC with p ‐methoxybenzaldehyde to form a zwitterionic intermediate, which on proton transfer reaction gives Breslow intermediate. Breslow intermediate then favours 1,4‐umpolung addition reaction with chalcone followed by another proton transfer to regenerate the Et‐BAC along with enolic form of the product. Enolic form ultimately transforms into the desired keto form, 1‐(4‐methoxyphenyl)‐2,4‐diphenylbutane‐1,4‐dione via protonated and free DBU aided proton shift mechanism. DFT‐derived reactivity parameters along with frontier molecular orbital (FMO) analysis have been successfully utilised to reveal the umpolung efficacy of Et‐BAC. This DFT exploration is in good accordance with experimental findings and also offers a deeper insight into the Et‐BAC catalysed organic transformations." @default.
• W3161036655 created "2021-05-24" @default.
• W3161036655 creator A5023445911 @default.
• W3161036655 creator A5066663414 @default.
• W3161036655 creator A5075335085 @default.
• W3161036655 date "2021-05-18" @default.
• W3161036655 modified "2023-10-18" @default.
• W3161036655 title "A density functional theory investigation on bis(diethylamino)cyclopropenylidene catalyzed synthesis of 1,4‐bifunctional compounds" @default.
• W3161036655 cites W1968887784 @default.
• W3161036655 cites W1982305998 @default.
• W3161036655 cites W1996569327 @default.
• W3161036655 cites W2003555872 @default.
• W3161036655 cites W2008708918 @default.
• W3161036655 cites W2010273809 @default.
• W3161036655 cites W2011585930 @default.
• W3161036655 cites W2012129602 @default.
• W3161036655 cites W2013665933 @default.
• W3161036655 cites W2014767176 @default.
• W3161036655 cites W2021494009 @default.
• W3161036655 cites W2025624195 @default.
• W3161036655 cites W2027376481 @default.
• W3161036655 cites W2029255976 @default.
• W3161036655 cites W2029509946 @default.
• W3161036655 cites W2038014655 @default.
• W3161036655 cites W2038092103 @default.
• W3161036655 cites W2039346098 @default.
• W3161036655 cites W2041094909 @default.
• W3161036655 cites W2045321870 @default.
• W3161036655 cites W2046286719 @default.
• W3161036655 cites W2046580220 @default.
• W3161036655 cites W2047042008 @default.
• W3161036655 cites W2052475192 @default.
• W3161036655 cites W2052523886 @default.
• W3161036655 cites W2053102567 @default.
• W3161036655 cites W2057351188 @default.
• W3161036655 cites W2062311935 @default.
• W3161036655 cites W2064969177 @default.
• W3161036655 cites W2067474966 @default.
• W3161036655 cites W2077250079 @default.
• W3161036655 cites W2079458939 @default.
• W3161036655 cites W2081760147 @default.
• W3161036655 cites W2083469020 @default.
• W3161036655 cites W2084282870 @default.
• W3161036655 cites W2085336624 @default.
• W3161036655 cites W2085463195 @default.
• W3161036655 cites W2085529967 @default.
• W3161036655 cites W2085837863 @default.
• W3161036655 cites W2097508537 @default.
• W3161036655 cites W2099873677 @default.
• W3161036655 cites W2101958915 @default.
• W3161036655 cites W2107167062 @default.
• W3161036655 cites W2114826497 @default.
• W3161036655 cites W2116179124 @default.
• W3161036655 cites W2133414155 @default.
• W3161036655 cites W2145658993 @default.
• W3161036655 cites W2149783350 @default.
• W3161036655 cites W2150697053 @default.
• W3161036655 cites W2152420176 @default.
• W3161036655 cites W2153644398 @default.
• W3161036655 cites W2162846787 @default.
• W3161036655 cites W2169503446 @default.
• W3161036655 cites W2201502112 @default.
• W3161036655 cites W2299637886 @default.
• W3161036655 cites W2320163706 @default.
• W3161036655 cites W2320679824 @default.
• W3161036655 cites W2334379385 @default.
• W3161036655 cites W2415036177 @default.
• W3161036655 cites W2470205014 @default.
• W3161036655 cites W2536121445 @default.
• W3161036655 cites W2553905046 @default.
• W3161036655 cites W2560332697 @default.
• W3161036655 cites W2593257241 @default.
• W3161036655 cites W2752262507 @default.
• W3161036655 cites W2762926781 @default.
• W3161036655 cites W2784353119 @default.
• W3161036655 cites W2788665386 @default.
• W3161036655 cites W2793401899 @default.
• W3161036655 cites W2939696732 @default.
• W3161036655 cites W2941860833 @default.
• W3161036655 cites W2950843231 @default.
• W3161036655 cites W2972697655 @default.
• W3161036655 cites W2979933012 @default.
• W3161036655 cites W3001663066 @default.
• W3161036655 cites W3109738091 @default.
• W3161036655 cites W4230047188 @default.
• W3161036655 cites W4231649355 @default.
• W3161036655 doi "https://doi.org/10.1002/poc.4219" @default.
• W3161036655 hasPublicationYear "2021" @default.
• W3161036655 type Work @default.
• W3161036655 sameAs 3161036655 @default.
• W3161036655 citedByCount "2" @default.
• W3161036655 countsByYear W31610366552022 @default.
• W3161036655 countsByYear W31610366552023 @default.
• W3161036655 crossrefType "journal-article" @default.
• W3161036655 hasAuthorship W3161036655A5023445911 @default.
• W3161036655 hasAuthorship W3161036655A5066663414 @default.
• W3161036655 hasAuthorship W3161036655A5075335085 @default.
• W3161036655 hasConcept C121332964 @default.
• W3161036655 hasConcept C142724271 @default.
• W3161036655 hasConcept C145148216 @default.

• next