Structure-Selectivity Relationship in Ruthenium-Catalyzed Regio- and Stereoselective Addition of Alkynes to Pyrazoles: An Experimental and Theoretical Investigation

被引：15

作者：

Das, Uttam Kumar ^{[1
]}

Mandal, Subhajit ^{[1
]}

Anoop, Anakuthil ^{[1
]}

Bhattacharjee, Manish ^{[1
]}

机构：

[1] Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India

来源：

JOURNAL OF ORGANIC CHEMISTRY | 2014年 / 79卷 / 21期

关键词：

ANTI-MARKOVNIKOV ADDITION; TRANSFER HYDROGENATION; VINYLATION REACTIONS; CORRELATION-ENERGY; BOND FORMATION; O-ARYLATION; N-ARYLATION; BASIS-SETS; COPPER; AZOLES;

D O I：

10.1021/jo502151z

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Ruthenium(II) complexes, [Ru(dppe)(PPh3)(CH3CN)(2)Cl][BPh4] {dppe = diphenylphosphinoethane} (1) and [Ru(dppp)(2)(CH3CN)Cl][BPh4] (2) {dppp = diphenylphosphinopropane}, are efficient catalysts for vinylation of pyrazoles by alkynes. While the 1-catalyzed reaction is trans-selective, the corresponding 2-catalyzed reaction is cis-selective. The experimental results have been rationalized by density functional theory calculations.

引用

页码：9979 / 9991

页数：13

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