Distinguishing and quantifying the torquoselectivity in competitive ring-opening reactions using the stress tensor and QTAIM

2016 ◽  
Vol 37 (31) ◽  
pp. 2722-2733 ◽  
Author(s):  
Huan Guo ◽  
Alejandro Morales-Bayuelo ◽  
Tianlv Xu ◽  
Roya Momen ◽  
Lingling Wang ◽  
...  
Keyword(s):  
Stress Tensor ◽  
Ring Opening ◽  
Ring Opening Reactions

scholarly journals Discerning Torquoselectivity of Non-Competitive and Competitive Ring-Opening Reactions Using QTAIM and Stress Tensor

2021 ◽  
Author(s):  
Roya Momen ◽  
Alireza Azizi ◽  
Alejandro Morales-Bayuelo ◽  
Xiaobo Ji
Keyword(s):  
Theoretical Analysis ◽  
Stress Tensor ◽  
Ring Opening ◽  
Experimental Results ◽  
Competitive Reactions ◽  
Ring Opening Reactions ◽  
Conventional Methods ◽  
Reactions Mechanism

Within this study, four thermal ring-opening reactions, Reactions (1-4), were selected in order to investigate the phenomenon of torquoselectivity as well as predicting non-competitive or competitive reactions in QTAIM and stress tensor frameworks rather than using conventional methods. The theoretical analysis for these reactions exhibits differently for non-competitive and competitive reactions as well as for the conrotatory preferences either TSOC or TSIC directions by presenting degeneracy or non-degeneracy in their results. The concordant results of stress tensor and QTAIM scalar and vectors with experimental results provide a better understanding of all reactions mechanism. Examination the (rb), ε, H(rb), ℙσ, 3, BPL, and H indicate that Reaction 1 is a competitive and Reactions (2-4) are non-competitive reactions with TSOC, TSOC, and TSIC preference directions respectively.

ChemInform Abstract: Ring-Opening Reactions of Difluoro(methylene)cyclopropanes with Halogens and Amines.

ChemInform ◽  
2009 ◽  
Vol 40 (12) ◽  
Author(s):  
Xiao-Chun Hang ◽  
Qing-Yun Chen ◽  
Ji-Chang Xiao
Keyword(s):  
Ring Opening ◽  
Ring Opening Reactions

Substituent Effects in Mechanochemical Allowed and Forbidden Cyclobutene Ring-Opening Reactions

2021 ◽  
Author(s):  
Cameron L. Brown ◽  
Brandon H. Bowser ◽  
Jan Meisner ◽  
Tatiana B. Kouznetsova ◽  
Stefan Seritan ◽  
...  
Keyword(s):  
Ring Opening ◽  
Substituent Effects ◽  
Ring Opening Reactions

ChemInform Abstract: Discovery of μ-Opioid Selective Ligands Derived from 1-Aminotetralin Scaffolds Made via Metal-Catalyzed Ring-Opening Reactions.

ChemInform ◽  
2009 ◽  
Vol 40 (29) ◽  
Author(s):  
Chris Dockendorff ◽  
Shujuan Jin ◽  
Madeline Olsen ◽  
Mark Lautens ◽  
Martin Coupal ◽  
...  
Keyword(s):  
Ring Opening ◽  
Ring Opening Reactions ◽  
Selective Ligands ◽  
Metal Catalyzed

scholarly journals Stereoselective Synthesis of Tetraalkyl Cyclobutene-1,2,3,4-tetracarboxylates. Synthesis of Tetraalkyl (Z,Z)-Buta-1,3-diene-1,2,3,4-tetracarboxylates

1999 ◽  
Vol 23 (8) ◽  
pp. 512-513
Author(s):  
Issa Yavari ◽  
Farahnaz Nourmohammadian
Keyword(s):  
Ring Opening ◽  
Wittig Reaction ◽  
Stereoselective Synthesis ◽  
Intramolecular Wittig Reaction ◽  
Ring Opening Reactions ◽  
Boiling Toluene

Tetraalkyl cyclobutene-1,2,3,4-tetracarboxylates, prepared by intramolecular Wittig reaction between a vinylphosphonium salt and diethyl 2-oxobutanedioate, undergo electrocyclic ring-opening reactions, in boiling toluene, to produce highly electron-deficient 1,3-dienes.

Thiophene ring-opening reactions. Direct access to the synthesis of 1,3,4-thiadiazoline-(condenced) pyridone hybrids

Tetrahedron ◽  
2021 ◽  
pp. 131957
Author(s):  
Mohammed M. Abadleh ◽  
Ahmad H. Abdullah ◽  
Firas F. Awwadi ◽  
Mustafa M. El-Abadelah
Keyword(s):  
Ring Opening ◽  
Thiophene Ring ◽  
Direct Access ◽  
Ring Opening Reactions

Photochemical ring-opening reactions of oxirane with the Ehrenfest force topology

2021 ◽  
Vol 769 ◽  
pp. 138432
Author(s):  
Xing Nie ◽  
Michael Filatov ◽  
Steven R. Kirk ◽  
Samantha Jenkins
Keyword(s):  
Ring Opening ◽  
Ring Opening Reactions

Recent Advances in Transition Metal Catalyzed C-H Functionalization Reactions Involving Aza/Oxabicyclic Alkenes

Synthesis ◽  
2021 ◽  
Author(s):  
Masilamani Jeganmohan ◽  
Pinki Sihag
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Ring Opening ◽  
Bond Activation ◽  
Considerable Progress ◽  
Double Bonds ◽  
Facial Selectivity ◽  
Ring Opening Reactions ◽  
Metal Catalyzed

Bicyclic alkenes, including Oxa- and azabicyclic alkenes can be readily activated by using transition-metal complexes with facial selectivity, because of the intrinsic angle strain on carbon-carbon double bonds of these unsymmetrical bicyclic systems. During last decades considerable progress has been done in the area of ring-opening of bicyclic strained ring by employing the concept of C-H activation. This Review comprehensively compiles the various C-H bond activation assisted reactions of oxa- and azabicyclic alkenes, viz., ring-opening reactions, hydroarylation as well as annulation reactions.

ChemInform Abstract: Ring Formation and Ring Opening Reactions of a Dihydrothiadiazine Cycle Fused to 1,2,4-Triazole.

ChemInform ◽  
2009 ◽  
Vol 40 (13) ◽  
Author(s):  
Alexandra A. Kolodina ◽  
Alexandr V. Lesin ◽  
Yulia V. Nelyubina
Keyword(s):  
Ring Opening ◽  
Ring Formation ◽  
Ring Opening Reactions
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