(1)H and (13)C NMR chemical shifts of 2-n-alkylamino-naphthalene-1,4-diones

(1)H as well as (13)C chemical shifts of 32 compounds of C (3) substituted 2-(n-alkylamino)-3R-naphthalene-1,4-dione (where n-alkyl: methyl, to octyl, R = H, Cl, Br, and CH(3)) are investigated through (1)H, (13)C, DEPT, gDQCOSY, and gHSQCAD NMR experiments and M06-2X/6-311++G (d,p) density function...

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Autores principales: Patil, Rishikesh, Jadhav, Mahesh, Salunke-Gawali, Sunita, Lande, Dipali N., Gejji, Shridhar P., Chakravarty, Debamitra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7848645/
https://www.ncbi.nlm.nih.gov/pubmed/33553738
http://dx.doi.org/10.1016/j.heliyon.2021.e06044
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author Patil, Rishikesh
Jadhav, Mahesh
Salunke-Gawali, Sunita
Lande, Dipali N.
Gejji, Shridhar P.
Chakravarty, Debamitra
author_facet Patil, Rishikesh
Jadhav, Mahesh
Salunke-Gawali, Sunita
Lande, Dipali N.
Gejji, Shridhar P.
Chakravarty, Debamitra
author_sort Patil, Rishikesh
collection PubMed
description (1)H as well as (13)C chemical shifts of 32 compounds of C (3) substituted 2-(n-alkylamino)-3R-naphthalene-1,4-dione (where n-alkyl: methyl, to octyl, R = H, Cl, Br, and CH(3)) are investigated through (1)H, (13)C, DEPT, gDQCOSY, and gHSQCAD NMR experiments and M06-2X/6-311++G (d,p) density functional theory are discussed. Single crystal X-ray structure of Br-3, as well as 18 different derivatives of naphthalene-1,4-diones, are revealed for its inter and intra-molecular hydrogen bonding interactions.
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spelling pubmed-78486452021-02-04 (1)H and (13)C NMR chemical shifts of 2-n-alkylamino-naphthalene-1,4-diones Patil, Rishikesh Jadhav, Mahesh Salunke-Gawali, Sunita Lande, Dipali N. Gejji, Shridhar P. Chakravarty, Debamitra Heliyon Research Article (1)H as well as (13)C chemical shifts of 32 compounds of C (3) substituted 2-(n-alkylamino)-3R-naphthalene-1,4-dione (where n-alkyl: methyl, to octyl, R = H, Cl, Br, and CH(3)) are investigated through (1)H, (13)C, DEPT, gDQCOSY, and gHSQCAD NMR experiments and M06-2X/6-311++G (d,p) density functional theory are discussed. Single crystal X-ray structure of Br-3, as well as 18 different derivatives of naphthalene-1,4-diones, are revealed for its inter and intra-molecular hydrogen bonding interactions. Elsevier 2021-01-28 /pmc/articles/PMC7848645/ /pubmed/33553738 http://dx.doi.org/10.1016/j.heliyon.2021.e06044 Text en © 2021 The Authors http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Research Article
Patil, Rishikesh
Jadhav, Mahesh
Salunke-Gawali, Sunita
Lande, Dipali N.
Gejji, Shridhar P.
Chakravarty, Debamitra
(1)H and (13)C NMR chemical shifts of 2-n-alkylamino-naphthalene-1,4-diones
title (1)H and (13)C NMR chemical shifts of 2-n-alkylamino-naphthalene-1,4-diones
title_full (1)H and (13)C NMR chemical shifts of 2-n-alkylamino-naphthalene-1,4-diones
title_fullStr (1)H and (13)C NMR chemical shifts of 2-n-alkylamino-naphthalene-1,4-diones
title_full_unstemmed (1)H and (13)C NMR chemical shifts of 2-n-alkylamino-naphthalene-1,4-diones
title_short (1)H and (13)C NMR chemical shifts of 2-n-alkylamino-naphthalene-1,4-diones
title_sort (1)h and (13)c nmr chemical shifts of 2-n-alkylamino-naphthalene-1,4-diones
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7848645/
https://www.ncbi.nlm.nih.gov/pubmed/33553738
http://dx.doi.org/10.1016/j.heliyon.2021.e06044
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