1-Ferrocenylbutane-1, 3-dione as a scaffold for ferrocenyl-based ligands: Synthesis, X-ray and computational studies. (1st April 2020)

• Record Type: Journal Article
• Authors: Alia, Joseph; Carpenter, Nancy E.; Albrecht, Amanda J.; Alexander, Sharon; Bullick, Taylir L.; Helmin, Andrew J.; Hubers, Scott A.; Janzen, Daron E.; Koehn, Jordan T.; Nyland, Bethany; Thoma, Laura; Weyer, Lynn; Wurst, Josh; Kucera, Benjamin E.
• Is Part Of: Polyhedron. Volume 180(2020)
• Publication Date: 2020-04-01
• Subjects: Ferrocene -- Chiral ligands -- Butane-1, 3-dione -- Alkylation -- NBO analysis -- Retro-Claisen -- Organometallic synthesis; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2020.114378
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: Abstract: Advanced precursors to novel ferrocene-based ligands Cp2 FeC(O)CH(R)C(O)CH3 (R = benzyl, allyl) were synthesized from 1-ferrocenylbutane-1, 3-dione via active methylene chemistry. Crystal structures were obtained and computational studies carried out to explore the structural features of these new compounds. Addition of carbonyl electrophiles resulted in the formation of unexpected products, which were identified and mechanisms for their formation proposed.