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Triflate 15 was derived from enantioenriched Wieland-Miecher Ketone
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Triflate 15 was derived from enantioenriched Wieland-Miecher Ketone.
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33
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70349160628
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See Supporting Information for details
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See Supporting Information for details.
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34
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70349119747
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The immediate fragmentation products (not observed) are imines. Use of THF accelerated the isomerization process (1 h: 23:24 = 1:1, 85% yield, 85% conversion)
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The immediate fragmentation products (not observed) are imines. Use of THF accelerated the isomerization process (1 h: 23:24 = 1:1, 85% yield, 85% conversion).
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Correlation functional
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0345491105
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calc and experiment is likely due in part to the degree of separation that exists between the transition states and the product ground states
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calc and experiment is likely due in part to the degree of separation that exists between the transition states and the product ground states.
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39
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70349151197
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Transition states for chlorine and fluorine substituted piperidines were calculated and compared with the bromine substituted TS I (see Supporting Information). The enthalpy of the reaction for the series was-F 13.5 kcal/ mol,-Cl 9.2 kcal/mol, and-Br 8.3 kcal/mol, consistent with leaving group ability
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Transition states for chlorine and fluorine substituted piperidines were calculated and compared with the bromine substituted TS I (see Supporting Information). The enthalpy of the reaction for the series was-F 13.5 kcal/ mol,-Cl 9.2 kcal/mol, and-Br 8.3 kcal/mol, consistent with leaving group ability.
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