DFT study of a 5-endo-trig-type cyclization of 3-alkenoic acids by using Pd-spiro-bis(isoxazoline) as catalyst: Importance of the rigid spiro framework for both selectivity and reactivity

Chemistry - A European Journal

Volumn 19, Issue 29, 2013, Pages 9518-9525

  Gabr, Randa K ^a   Hatakeyama, Takuji ^b   Takenaka, Kazuhiro ^a   Takizawa, Shinobu ^a   Okada, Yoshihiro ^b   Nakamura, Masaharu ^b   Sasai, Hiroaki ^a  

^a OSAKA UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

asymmetric catalysis; cyclization; density functional calculations; palladium; reaction mechanisms; spiro compounds

Indexed keywords

ACTIVATION BARRIERS; ASYMMETRIC CATALYSIS; BIS(OXAZOLINE) LIGANDS; INTRAMOLECULAR NUCLEOPHILIC ATTACK; MONODENTATE LIGANDS; NATURAL POPULATION ANALYSIS; REACTION MECHANISM; SPIRO COMPOUNDS;

ACTIVATION ENERGY; CARBOXYLATION; CATALYSIS; CATALYST SELECTIVITY; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ENANTIOSELECTIVITY; LIGANDS; OLEFINS; PALLADIUM; PALLADIUM COMPOUNDS; VOLATILE FATTY ACIDS;

CYCLIZATION;

EID: 84879965079     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201203189     Document Type: Article

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