期刊论文

Yu, Zhi-Xiang

英文

CHEMICAL SCIENCE

2041-6520

2015

6

5

3201-3210

10.1039/c5sc00584a

UT Austin; CPRIT; NIGMSUnited States Department of Health & Human ServicesNational Institutes of Health (NIH) - USANIH National Institute of General Medical Sciences (NIGMS) [R01GM109054-01]; Welch FoundationThe Welch Foundation [F 1781]; Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21232001]; NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCESUnited States Department of Health & Human ServicesNational Institutes of Health (NIH) - USANIH National Institute of General Medical Sciences (NIGMS) [R01GM109054, R01GM109054, R01GM109054, R01GM109054, R01GM109054, R01GM109054] Funding Source: NIH RePORTER

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In this full article, detailed development of a catalytic decarbonylation of conjugated monoynones to synthesize disubstituted alkynes is described. The reaction scope and limitation has been thoroughly investigated, and a broad range of functional groups including heterocycles were compatible under the catalytic conditions. Mechanistic exploration via DFT calculations has also been executed. Through the computational study, a proposed catalytic mechanism has been carefully evaluated. These efforts are expected to serve as an important explorat...