气候变化领域集成服务门户(CCPortal): Theoretical evaluation of the carbene-based site-selectivity in gold(iii)-catalyzed annulations of alkynes with anthranils

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DOI	10.1039/d0cc07440c
	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
通讯作者	Bi, SW ; Liu, YX (通讯作者)，Qufu Normal Univ, Sch Chem & Chem Engn, Qufu 273165, Shandong, Peoples R China. ; James, TD (通讯作者)，Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. ; James, TD (通讯作者)，Henan Normal Univ, Sch Chem & Chem Engn, Xinxiang 453007, Henan, Peoples R China.
发表日期	2021
ISSN	1359-7345
EISSN	1364-548X
起始页码	1494
结束页码	1497
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.
关键词	METAL-CATALYZED REACTIONS GOLD AROMATICITY ISOXAZOLES
语种	英语
WOS研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000618040500014
来源期刊	CHEMICAL COMMUNICATIONS
来源机构	中国科学院西北生态环境资源研究院
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/254909
作者单位	[Wang, Kaifeng; Wu, Qiao; Bi, Siwei; Liu, Lingjun; Chen, Guang; Liu, Yuxia] Qufu Normal Univ, Sch Chem & Chem Engn, Qufu 273165, Shandong, Peoples R China; [Chen, Guang] Hainan Med Univ, Coll Emergency & Trauma, Minist Educ, Key Lab Hainan Trauma & Disaster Rescue, Haikou 571199, Hainan, Peoples R China; [Li, Yulin] Chinese Acad Sci, Key Lab Tibetan Med Res, Northwest Inst Plateau Biol, Xining 810001, Qinghai, Peoples R China; [Li, Yulin] Chinese Acad Sci, Qinghai Key Lab Qinghai Tibet Plateau Biol Resour, Northwest Inst Plateau Biol, Xining 810001, Qinghai, Peoples R China; [James, Tony D.] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England; [James, Tony D.] Henan Normal Univ, Sch Chem & Chem Engn, Xinxiang 453007, Henan, Peoples R China
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]. 中国科学院西北生态环境资源研究院,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).