Proton affinities of ketones, vicinal diketones and α-keto esters: A computational study

Tetrahedron

Volumn 61, Issue 34, 2005, Pages 8109-8119

  Taskinen, Antti ^a   Nieminen, Ville ^b   Toukoniitty, Esa ^b   Murzin, Dmitry Yu ^b   Hotokka, Matti ^a  

^a ÅBO AKADEMI UNIVERSITY   (Finland)

^b LABORATORY OF INDUSTRIAL CHEMISTRY AND REACTION ENGINEERING   (Finland)

Author keywords

Keto ester; Ab initio calculation; DFT; Enantioselective hydrogenation; Model chemistry; Proton affinity

Indexed keywords

1 PHENYL 1,2 PROPANEDIONE; 2,2,2 TRIFLUOROACETOPHENONE; 2,3 BUTANEDIONE; ACETOPHENONE; DIKETONE; ESTER; ETHYLBENZYLFORMATE; FORMIC ACID DERIVATIVE; KETONE DERIVATIVE; KETOPANTOLACTONE; LACTONE DERIVATIVE; METHYLPYRUVATE; PROPANE; PYRUVIC ACID DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ANALYTIC METHOD; ARTICLE; CHEMICAL MODIFICATION; CHIRALITY; DENSITY FUNCTIONAL THEORY; HYDROGENATION; PRIORITY JOURNAL; THEORY;

EID: 22544473010     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tet.2005.06.049     Document Type: Article

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