Fig. 5: Mechanistic studies. | Nature Communications

Fig. 5: Mechanistic studies.

From: Titanium catalyzed [2σ + 2π] cycloaddition of bicyclo[1.1.0]-butanes with 1,3-dienes for efficient synthesis of stilbene bioisosteres

Fig. 5

a Radical trapping experiment in the presence of 2,2,6,6-Tetramethylpiperidinooxy (TEMPO). b DFT calculations for the E/Z-selectivity of 1-phenyl-1,3-butadiene. c DFT calculations for the E/Z-selectivity of 1-cyclohexyl-1,3-butadiene. d DFT calculations for the regioselectivity of [4 + 2] vs [2 + 2]. Transition states are illustrated using CYLview2069.

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