Experimental and computational studies of the mechanism of base‐catalyzed ring opening of 2‐(chloromethyl)oxirane by benzoic acid

2020 ◽  
Author(s):  
Yuliia Bespalko ◽  
Marina Sinel'nikova ◽  
Elena Shved ◽  
Evgeniia Bakhalova
Keyword(s):  
Benzoic Acid ◽  
Ring Opening ◽  
Computational Studies

Reactions of 4-Pyrones with Azomethine Ylides as a Chemo­selective Method for the Construction of Multisubstituted Pyrano[2,3-c]pyrrolidines

Synthesis ◽  
2021 ◽  
Author(s):  
Dmitrii L. Obydennov ◽  
Vyacheslav D. Steben’kov ◽  
Konstantin L. Obydennov ◽  
Sergey A. Usachev ◽  
Vladimir S. Moshkin ◽  
...  
Keyword(s):  
Double Bond ◽  
Ring Opening ◽  
Azomethine Ylides ◽  
Azomethine Ylide ◽  
Dipolar Cycloaddition ◽  
Computational Studies ◽  
Carbon Double Bond ◽  
Reactivity Indexes ◽  
Reaction Proceeds

Abstract4-Pyrones bearing electron-donating and electron-withdrawing groups react with nonstabilized azomethine ylides to form pyrano[2,3-c]pyrrolidines in moderate to good yields. The reaction proceeds chemoselectively as a 1,3-dipolar cycloaddition of the azomethine ylide at the carbon–carbon double bond of the pyrone activated by the electron-withdrawing substituent. The reactivity of 4-pyrones toward azomethine ylides was rationalized by computational studies with the use of reactivity indexes. The pyrano[2,3-c]pyrrolidine moiety could be modified, for example by a ring-opening transformation under the action of hydrazine to provide pyrazolyl-substituted pyrrolidines.

Probing ring-opening pathways for efficient photocatalytic toluene decomposition

2019 ◽  
Vol 7 (7) ◽  
pp. 3366-3374 ◽  
Author(s):  
Jieyuan Li ◽  
Xing'an Dong ◽  
Guan Zhang ◽  
Wen Cui ◽  
Wanglai Cen ◽  
...  
Keyword(s):  
Benzoic Acid ◽  
Ring Opening ◽  
Photocatalytic Efficiency ◽  
Ring Opening Reactions

The alternative charge arrangement on the {010} facet of BiOCl facilitates benzyl oxidation and selectivity for benzoic acid ring-opening reactions, subsequently resulting in remarkably enhanced photocatalytic efficiency.

scholarly journals Cationic-π Interactions enabling Hard/Soft Ti/Ag Heterobimetallic Cooperativity in Lactide Ring-Opening Polymerisation

2021 ◽  
Author(s):  
Chloe Alicia Baker ◽  
Charles Romain ◽  
Nicholas J Long
Keyword(s):  
Ring Opening ◽  
Room Temperature ◽  
Computational Studies ◽  
Significant Activity ◽  
Π Interactions ◽  
Salen Complex

The combination of a Ti-salen complex with AgBArF reveals unique hard/soft heterobimetallic cooperativity in lactide ring-opening polymerisation (ROP), enabling significant activity at room temperature. Reactivity, mechanistic and computational studies highlight...

Synthesis, characterization and computational studies of 4-[(Pyridine-3-carbonyl)-hydrazonomethyl]-benzoic acid

2020 ◽  
Vol 1215 ◽  
pp. 128247
Author(s):  
Füreya Elif Öztürkkan Özbek ◽  
Güventürk Uğurlu ◽  
Erbay Kalay ◽  
Hacali Necefoğlu
Keyword(s):  
Benzoic Acid ◽  
Computational Studies

scholarly journals From Bioactive Pyrrolidino[3,4-c]pyrrolidines to more Bioactive Pyrrolidino[3,4-b]pyrrolidines via Ring-Opening/Ring-Closing Promoted by Sodium Methoxide

Synthesis ◽  
2018 ◽  
Vol 51 (07) ◽  
pp. 1565-1577 ◽  
Author(s):  
H. Dondas ◽  
José Sansano ◽  
Samet Belveren ◽  
Olatz Larrañaga ◽  
Samet Poyraz ◽  
...  
Keyword(s):  
Ring Opening ◽  
Sodium Methoxide ◽  
Starting Material ◽  
Computational Studies ◽  
Quaternary Carbons

The process involving a rearrangement of pyrrolidino[3,4-c]pyrrolidine to another pyrrolidino[3,4-b]pyrrolidine using sodium methoxide as base is fully studied. The effects of the substituents are analyzed during the ring-opening/ring-closing sequence. Computational studies are also performed to explain the importance of susbstituents and quaternary carbons, especially when the (3-indolyl)methyl is present in the starting material. Finally, all the samples are evaluated as potential candidates for antibacterial and antimycobacterial activities.

Stereochemical study of the ring opening of indene oxide by benzoic acid

1972 ◽  
Vol 37 (20) ◽  
pp. 3181-3182 ◽  
Author(s):  
Augustus. Gagis ◽  
Anthony. Fusco ◽  
Joseph T. Benedict
Keyword(s):  
Benzoic Acid ◽  
Ring Opening

scholarly journals Experimental and Computational Studies of Microwave-Assisted, Facile Ring Opening of Epoxide with Less Reactive Aromatic Amines in Nitromethane

ACS Omega ◽  
2020 ◽  
Vol 5 (30) ◽  
pp. 18746-18757
Author(s):  
Sumit Kumar ◽  
Charu Upadhyay ◽  
Meenakshi Bansal ◽  
Maria Grishina ◽  
Bhupender S. Chhikara ◽  
...  
Keyword(s):  
Aromatic Amines ◽  
Ring Opening ◽  
Computational Studies ◽  
Microwave Assisted ◽  
Ring Opening Of Epoxide
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