Supporting information for: "Controlling Pd-Catalyzed N-Arylation and Dimroth Rearrangement in the Synthesis of N,1-Diaryl-1H-tetrazol-5-amines"
Authors
Nikolić, AndreaStanić, Jelena
Zlatar, Matija
Gruden, Maja
Anđelković, Boban
Selaković, Života
Ajdačić, Vladimir
Opsenica, Igor
Dataset (Published version)
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Show full item recordAbstract
Copies of 1H and 13C NMR spectra for the synthesized compounds; Extended computational results, and total electronic energies, number of imaginary frequencies; Cartesian coordinates of all structures.
Keywords:
Pd-catalyzed N-arylation / synthesis / tetrazoles / DFT / mechanism / Dimroth rearrangement / stability / NMR analysis / thermodynamical control / reactions / equilibrium / rate-determining step / isomers / 1H-NMR spectra / 13C{1H} NMR spectra / Cartesian coordinatesSource:
The Journal of Organic Chemistry, 2021Publisher:
- American Chemical Society (ACS)
Funding / projects:
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200168 (University of Belgrade, Faculty of Chemistry) (RS-MESTD-inst-2020-200168)
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200288 (Innovation Center of the Faculty of Chemistry) (RS-MESTD-inst-2020-200288)
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM) (RS-MESTD-inst-2020-200026)
- Serbian Academy of Sciences and Arts (01-2019-F65)
- Reinforcement of the Faculty of Chemistry, University of Belgrade, towards becoming a Center of Excellence in the region of WB for Molecular Biotechnology and Food research (EU-FP7-256716)
Note:
- This is the supporting information for the article: Nikolić, A., Stanić, J., Zlatar, M., Gruden, M., Anđelković, B., Selaković, Ž., Ajdačić, V.,& Opsenica, I. (2021). Controlling Pd-Catalyzed N-Arylation and Dimroth Rearrangement in the Synthesis of N,1-Diaryl-1H-tetrazol-5-amines. The Journal of Organic Chemistry, American Chemical Society (ACS)., 86(6), 4794-4803. https://doi.org/10.1021/acs.joc.1c00282
- The published version: https://cer.ihtm.bg.ac.rs/handle/123456789/4431
- The peer-reviewed version: https://cer.ihtm.bg.ac.rs/handle/123456789/4443
Related info:
- Referenced by
https://doi.org/10.1021/acs.joc.1c00282 - Referenced by
https://cer.ihtm.bg.ac.rs/handle/123456789/4431 - Referenced by
https://cer.ihtm.bg.ac.rs/handle/123456789/4443
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IHTMTY - DATA AU - Nikolić, Andrea AU - Stanić, Jelena AU - Zlatar, Matija AU - Gruden, Maja AU - Anđelković, Boban AU - Selaković, Života AU - Ajdačić, Vladimir AU - Opsenica, Igor PY - 2021 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/4444 AB - Copies of 1H and 13C NMR spectra for the synthesized compounds; Extended computational results, and total electronic energies, number of imaginary frequencies; Cartesian coordinates of all structures. PB - American Chemical Society (ACS) T2 - The Journal of Organic Chemistry T1 - Supporting information for: "Controlling Pd-Catalyzed N-Arylation and Dimroth Rearrangement in the Synthesis of N,1-Diaryl-1H-tetrazol-5-amines" DO - 10.1021/acs.joc.1c00282.s001 ER -
@misc{ author = "Nikolić, Andrea and Stanić, Jelena and Zlatar, Matija and Gruden, Maja and Anđelković, Boban and Selaković, Života and Ajdačić, Vladimir and Opsenica, Igor", year = "2021", abstract = "Copies of 1H and 13C NMR spectra for the synthesized compounds; Extended computational results, and total electronic energies, number of imaginary frequencies; Cartesian coordinates of all structures.", publisher = "American Chemical Society (ACS)", journal = "The Journal of Organic Chemistry", title = "Supporting information for: "Controlling Pd-Catalyzed N-Arylation and Dimroth Rearrangement in the Synthesis of N,1-Diaryl-1H-tetrazol-5-amines"", doi = "10.1021/acs.joc.1c00282.s001" }
Nikolić, A., Stanić, J., Zlatar, M., Gruden, M., Anđelković, B., Selaković, Ž., Ajdačić, V.,& Opsenica, I.. (2021). Supporting information for: "Controlling Pd-Catalyzed N-Arylation and Dimroth Rearrangement in the Synthesis of N,1-Diaryl-1H-tetrazol-5-amines". in The Journal of Organic Chemistry American Chemical Society (ACS).. https://doi.org/10.1021/acs.joc.1c00282.s001
Nikolić A, Stanić J, Zlatar M, Gruden M, Anđelković B, Selaković Ž, Ajdačić V, Opsenica I. Supporting information for: "Controlling Pd-Catalyzed N-Arylation and Dimroth Rearrangement in the Synthesis of N,1-Diaryl-1H-tetrazol-5-amines". in The Journal of Organic Chemistry. 2021;. doi:10.1021/acs.joc.1c00282.s001 .
Nikolić, Andrea, Stanić, Jelena, Zlatar, Matija, Gruden, Maja, Anđelković, Boban, Selaković, Života, Ajdačić, Vladimir, Opsenica, Igor, "Supporting information for: "Controlling Pd-Catalyzed N-Arylation and Dimroth Rearrangement in the Synthesis of N,1-Diaryl-1H-tetrazol-5-amines"" in The Journal of Organic Chemistry (2021), https://doi.org/10.1021/acs.joc.1c00282.s001 . .