Regio‐, stereo‐, and site‐selectivities of 1,3‐dipolar Cycloaddition reaction of benzonitrile oxide with unsymmetrically substituted norbornenes and norbornadienes: A computational study

2021 ◽  
Author(s):  
Harun Abdullah ◽  
Richard Tia ◽  
Evans Adei
Keyword(s):  
Computational Study ◽  
Cycloaddition Reaction ◽  
Dipolar Cycloaddition

Investigating the reaction pathways of chemical functionalization of C20 fullerene by nitrile oxide and azide; A computational study

2018 ◽  
Vol 17 (01) ◽  
pp. 1850003
Author(s):  
Sakineh Asghari ◽  
Ali Asghar Gouran ◽  
Davood Farmanzadeh ◽  
Tahereh Abdollahi
Keyword(s):  
Functional Group ◽  
Computational Study ◽  
Cycloaddition Reaction ◽  
Nitrile Oxide ◽  
Dipolar Cycloaddition ◽  
Hydrazoic Acid ◽  
Density Of State ◽  
Electronic Density ◽  
C20 Fullerene ◽  
Oxide Group

In this study, the interactions between nitrile oxide (fulminic acid) and azide (hydrazoic acid) with the C[Formula: see text] fullerene were investigated and their priority in reacting and functionalizing surface of this fullerene were compared with each other. The results show that the 1,3-dipolar cycloaddition reaction between fulminic acid and C[Formula: see text] fullerene could occur faster than this reaction by hydrazoic acid. Therefore, nitrile oxide group as a dipole is much preferred compared to the azide functional group in reacting with the surface of C[Formula: see text] fullerene. In addition, the calculated adsorption energy and electronic density of state, DOS plots for the related species confirmed that the C[Formula: see text] fullerene can be used as sensors for sensing the hydrazoic acid and fulminic acid molecules.

New Pyrrolo[1,2-b]pyridazine Derivatives by 1,3-Dipolar Cycloaddition of Mesoionic Oxazolopyridazinone

2008 ◽  
Vol 59 (11) ◽  
Author(s):  
Miron Teodor Caproiu ◽  
Florea Dumitrascu ◽  
Mino R. Caira
Keyword(s):  
Nmr Spectroscopy ◽  
Elemental Analysis ◽  
Cycloaddition Reaction ◽  
Dipolar Cycloaddition ◽  
Pyridazine Derivatives ◽  
New Compounds

New pyrrolo[1,2-b]pyridazine derivatives 8a-f were synthesized by 1,3-dipolar cycloaddition reaction between mesoionic 1,3-oxazolo[3,2-b]pyridazinium-2-oxides and diethyl or diisopropyl acetylenedicarboxylate as alkyne dipolarophiles. The structures of the new compounds were assigned by elemental analysis and NMR spectroscopy.

Copper-catalyzed Convenient Synthesis and SAR Studies of Substituted-1,2,3-triazole as Antimicrobial Agents

2018 ◽  
Vol 16 (1) ◽  
pp. 3-10
Author(s):  
Aniket P. Sarkate ◽  
Kshipra S. Karnik ◽  
Pravin S. Wakte ◽  
Ajinkya P. Sarkate ◽  
Ashwini V. Izankar ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Antifungal Activity ◽  
Antimicrobial Agents ◽  
Cycloaddition Reaction ◽  
Dipolar Cycloaddition ◽  
One Pot ◽  
Triazole Derivatives ◽  
Sar Studies ◽  
Convenient Synthesis ◽  
Antibacterial And Antifungal

Background:A novel copper-catalyzed synthesis of substituted-1,2,3-triazole derivatives has been developed and performed by Huisgen 1,3-dipolar cycloaddition reaction of azides with alkynes. The reaction is one-pot multicomponent.Objective:We state the advancement and execution of a methodology allowing for the synthesis of some new substituted 1,2,3-triazole analogues with antimicrobial activity.Methods:A series of triazole derivatives was synthesized by Huisgen 1,3-dipolar cycloaddition reaction of azides with alkynes. The structures of the synthesized compounds were elucidated and confirmed by 1H NMR, IR, MS and elemental analysis. All the synthesized compounds were tested for their antimicrobial activity against a series of strains of Bacillus subtilis, Staphylococcus aureus and Escherichia coli for antibacterial activity and against the strains of Candida albicans, Aspergillus flavus and Aspergillus nigar for antifungal activity, respectively.Results and Conclusion:From the antimicrobial data, it was observed that all the newly synthesized compounds showed good to moderate level of antibacterial and antifungal activity.

Rapid Access to Novel 1,2,3-Triazolo-Heterocyclic Scaffolds via Tandem Knoevenagel Condensation/Azide–Alkyne 1,3-Dipolar Cycloaddition Reaction in One Pot

2014 ◽  
Vol 16 (9) ◽  
pp. 466-477 ◽  
Author(s):  
Ram Awatar Maurya ◽  
Praveen Reddy Adiyala ◽  
D. Chandrasekhar ◽  
Chada Narsimha Reddy ◽  
Jeevak Sopanrao Kapure ◽  
...  
Keyword(s):  
Knoevenagel Condensation ◽  
Cycloaddition Reaction ◽  
Dipolar Cycloaddition ◽  
One Pot ◽  
Rapid Access

Synthesis of novel isoxazole-benzoquinone hybrids via 1,3-dipolar cycloaddition reaction as key step

2012 ◽  
Vol 53 (32) ◽  
pp. 4108-4113 ◽  
Author(s):  
P. Ravi Kumar ◽  
Manoranjan Behera ◽  
K. Raghavulu ◽  
A. Jaya Shree ◽  
Satyanarayana Yennam
Keyword(s):  
Cycloaddition Reaction ◽  
Dipolar Cycloaddition

FACE-selective fluorogenic cycloaddition reaction between coumarin azides and sugar terminal alkynes: an experimental and computational study

2011 ◽  
Vol 346 (15) ◽  
pp. 2327-2336 ◽  
Author(s):  
Ramanathan Rajaganesh ◽  
Pawar Ravinder ◽  
Venkatesan Subramanian ◽  
Thangamuthu Mohan Das
Keyword(s):  
Computational Study ◽  
Cycloaddition Reaction ◽  
Terminal Alkynes

Bifunctional AgOAc/ThioClickFerrophos catalyzed asymmetric 1,3-dipolar cycloaddition reaction of azomethine ylides to nitroalkenes

Tetrahedron ◽  
2016 ◽  
Vol 72 (21) ◽  
pp. 2666-2670 ◽  
Author(s):  
Midori Kimura ◽  
Yukiko Matsuda ◽  
Akihiro Koizumi ◽  
Chihiro Tokumitsu ◽  
Yuichiro Tokoro ◽  
...  
Keyword(s):  
Cycloaddition Reaction ◽  
Azomethine Ylides ◽  
Dipolar Cycloaddition
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