Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study

ACS Catalysis ◽  
2021 ◽  
pp. 13921-13934
Author(s):  
Fei Zhao ◽  
Zhi Zhou ◽  
Yangbin Lu ◽  
Jin Qiao ◽  
Xiaoning Zhang ◽  
...  
Keyword(s):  
Computational Study ◽  
Directing Group ◽  
Group Migration

Using a traceless directing group for the silver-mediated synthesis of 3-trifluoromethylpyrazoles: a computational study on the mechanism and origins of regioselectivity

2018 ◽  
Vol 5 (23) ◽  
pp. 3374-3381 ◽  
Author(s):  
Feiyun Jia ◽  
Jiewei Luo ◽  
Bo Zhang
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Density Functional ◽  
Computational Study ◽  
One Pot ◽  
Functional Theory ◽  
One Pot Synthesis ◽  
Directing Group

The silver-mediated one-pot synthesis of 3-trifluoromethylpyrazoles using a traceless directing group was investigated by density functional theory (DFT) calculations.

A DFT computational study on the molecular mechanism of the nitro group migration in the product derived from 3-nitro-2-(trifluoromethyl)-2 H -chromene and 2-(1-phenylpropylidene)malononitrile

2014 ◽  
Vol 168 ◽  
pp. 236-239 ◽  
Author(s):  
Agnieszka Łapczuk-Krygier ◽  
Vladislav Yu. Korotaev ◽  
Alexey Yu. Barkov ◽  
Vyacheslav Ya. Sosnovskikh ◽  
Ewa Jasińska ◽  
...  
Keyword(s):  
Nitro Group ◽  
Molecular Mechanism ◽  
Computational Study ◽  
Group Migration

scholarly journals Stereoselective Synthesis of Tetrasubstituted Alkenes via a Cp*Co III ‐Catalyzed C−H Alkenylation/Directing Group Migration Sequence

2017 ◽  
Vol 56 (25) ◽  
pp. 7156-7160 ◽  
Author(s):  
Hideya Ikemoto ◽  
Ryo Tanaka ◽  
Ken Sakata ◽  
Motomu Kanai ◽  
Tatsuhiko Yoshino ◽  
...  
Keyword(s):  
Stereoselective Synthesis ◽  
Directing Group ◽  
Group Migration

Chameleon-like Behavior of the Directing Group in the Rh(III)-Catalyzed Regioselective C–H Amidation of Indole: An Experimental and Computational Study

ACS Catalysis ◽  
2019 ◽  
Vol 9 (11) ◽  
pp. 10233-10244 ◽  
Author(s):  
Jinquan Zhang ◽  
Hujun Xie ◽  
Huajian Zhu ◽  
Shuaizhong Zhang ◽  
Madhava Reddy Lonka ◽  
...  
Keyword(s):  
Computational Study ◽  
Directing Group

Directing group migration strategy in transition-metal-catalysed direct C–H functionalization

2021 ◽  
Author(s):  
Yingtao Wu ◽  
Chao Pi ◽  
Yangjie Wu ◽  
Xiuling Cui
Keyword(s):  
Transition Metal ◽  
Bond Cleavage ◽  
Migration Strategy ◽  
Directing Group ◽  
Group Migration

In this tutorial review, the rapid advances of directing group (DG) migration in transition-metal-catalysed direct C–H activation was presented through analyzing and comparing the different bond cleavage trigger DG migration (including N–O, N–C, N–N or O–C).

scholarly journals Stereoselective Synthesis of Tetrasubstituted Alkenes via a Cp*Co III ‐Catalyzed C−H Alkenylation/Directing Group Migration Sequence

2017 ◽  
Vol 129 (25) ◽  
pp. 7262-7266 ◽  
Author(s):  
Hideya Ikemoto ◽  
Ryo Tanaka ◽  
Ken Sakata ◽  
Motomu Kanai ◽  
Tatsuhiko Yoshino ◽  
...  
Keyword(s):  
Stereoselective Synthesis ◽  
Directing Group ◽  
Group Migration

A computational study of cobalt-catalyzed C–H iodination reactions using a bidentate directing group with molecular iodine

2019 ◽  
Vol 6 (4) ◽  
pp. 537-543 ◽  
Author(s):  
Ken Yamazaki ◽  
Yadagiri Kommagalla ◽  
Yusuke Ano ◽  
Naoto Chatani
Keyword(s):  
Computational Study ◽  
Molecular Iodine ◽  
Directing Group ◽  
Computational Methodology

A computational methodology was used to collect detailed mechanistic information on the cobalt-catalyzed C–H iodination of aromatic amides with molecular iodine using an N,N′-bidentate directing group.

Rhodium(III)-Catalyzed C–H Alkenylation/Directing Group Migration for the Regio- and Stereoselective Synthesis of Tetrasubstituted Alkenes

2020 ◽  
Vol 22 (23) ◽  
pp. 9163-9168
Author(s):  
Xiaowei Wu ◽  
Yangbin Lu ◽  
Jin Qiao ◽  
Wenhao Dai ◽  
Xiuwen Jia ◽  
...  
Keyword(s):  
Stereoselective Synthesis ◽  
Directing Group ◽  
Group Migration
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