Mechanism and origins of selectivity in Ru(II)-catalyzed intramolecular (5+2) cycloadditions and ene reactions of vinylcyclopropanes and alkynes from density functional theory

Journal of the American Chemical Society

Volumn 135, Issue 17, 2013, Pages 6588-6600

  Hong, Xin ^a   Trost, Barry M ^b   Houk, K N ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOADDITION PRODUCTS; DIASTEREOSELECTIVITIES; HYDRIDE ELIMINATION; OPTIMIZED STRUCTURES; OXIDATIVE CYCLIZATION; RUTHENACYCLOPENTENE; SEVEN-MEMBERED RINGS; VINYLCYCLOPROPANES;

ACETONE; CATALYSIS; CATALYSTS; CHEMICAL BONDS; CYCLOADDITION; DENSITY FUNCTIONAL THEORY; ELECTROSTATICS; HYDROCARBONS; ORGANIC SOLVENTS; REGIOSELECTIVITY; RUTHENIUM ALLOYS;

PROPANE;

ACETONE; ALKYNE; CYCLOPROPANE DERIVATIVE; HYDROGEN; HYDROXYL GROUP; RUTHENIUM DERIVATIVE;

ARTICLE; CATALYST; CHEMICAL STRUCTURE; CYCLIZATION; CYCLOADDITION; DENSITY FUNCTIONAL THEORY; DIASTEREOISOMER; ELIMINATION REACTION; MOLECULAR DYNAMICS; STATIC ELECTRICITY; STEREOCHEMISTRY; SUBSTITUTION REACTION;

ACETONITRILES; ALKYNES; CATALYSIS; CYCLIZATION; CYCLOPROPANES; METALS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; RUTHENIUM; SOLVENTS; STEREOISOMERISM; VINYL COMPOUNDS;

EID: 84877066906     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja4012657     Document Type: Article

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