Theoretical evaluation of the carbene-based site-selectivity in gold(iii)-catalyzed annulations of alkynes with anthranils

	Theoretical evaluation of the carbene-based site-selectivity in gold(iii)-catalyzed annulations of alkynes with anthranils
	Wang, Kaifeng; Wu, Qiao; Bi, Siwei; Liu, Lingjun; Chen, Guang; Li, Yulin; James, Tony D.; Liu, Yuxia
刊名	CHEMICAL COMMUNICATIONS
	2021
卷号	57 期号:12
英文摘要	The gold(iii)-catalyzed annulations of alkynes with anthranils were evaluated using DFT calculations. A unified rationale for the Br-migration on alpha-imino gold(iii)-carbene was proposed, from which an unprecedented N-donation/abstraction substitution mechanism was established using the substituted anthranils, while direct C-H nucleophilic attack was involved with the unsubstituted anthranils. The controlling factors guiding the site-selectivity were uncovered. These computational studies provide insight for developing new alpha-imino gold(iii)-carbene mediated reactions.
内容类型	期刊论文
源URL	[http://210.75.249.4/handle/363003/60853]
专题	西北高原生物研究所_中国科学院西北高原生物研究所
推荐引用方式 GB/T 7714	Wang, Kaifeng,Wu, Qiao,Bi, Siwei,et al. Theoretical evaluation of the carbene-based site-selectivity in gold(iii)-catalyzed annulations of alkynes with anthranils[J]. CHEMICAL COMMUNICATIONS,2021,57(12).
APA	Wang, Kaifeng.,Wu, Qiao.,Bi, Siwei.,Liu, Lingjun.,Chen, Guang.,...&Liu, Yuxia.(2021).Theoretical evaluation of the carbene-based site-selectivity in gold(iii)-catalyzed annulations of alkynes with anthranils.CHEMICAL COMMUNICATIONS,57(12).
MLA	Wang, Kaifeng,et al."Theoretical evaluation of the carbene-based site-selectivity in gold(iii)-catalyzed annulations of alkynes with anthranils".CHEMICAL COMMUNICATIONS 57.12(2021).