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| Type |
Poster Presentation |
| Area |
Organic Chemistry |
| Room No. |
Grand Ballroom |
| Time |
10월 18일 (목요일) 11:00~12:30 |
| Code |
ORGN.P-87 |
| Subject |
Mechanism of Palladium-Catalyzed C–N Coupling with DBU as a Base |
| Authors |
Seoung-Tae Kim, Mu-Hyun Baik*
Chemistry, Korea Advanced Institute of Science and Technology, Korea
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| Abstract |
In general, the Buchwald-Hartwig amination reaction employes strong, inorganic or insoluble bases to deprotonate less acidic amines albeit these bases expose innate limitations: i) reduce the functional group tolerance, ii) insoluble in a solvent, iii) air sensitive, and iv) can require higher Pd loadings. Recently, the Buchwald group reported a new Pd-catalyzed C-N cross-coupling reaction that can tolerate highly base-sensitive substrates by using organic-base. In this DFT study, the mechanism of Pd-catalyzed C–N cross-coupling reaction with organic-base, 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), is explored. This study addresses the reason for the difficulty of using the organic-base and shed light on the importance of ligand bulkiness for the reaction. |
| E-mail |
seoungtae@kaist.ac.kr |
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122nd General Meeting of the KCS