Design and Synthesis of the Candesartan Key Intermediate

Pintilie, Lucia; Stefaniu, Amalia; Negut, Catalina; Tanase, Constantin; Caproiu, Miron Teodor

Lucia Pintilie, Amalia Stefaniu, Catalina Negut, Constantin Tanase, Miron Teodor Caproiu

Design and Synthesis of the Candesartan Key Intermediate

Abstract:

This paper presents experimental data regarding the synthesis and structural characterization by: 1H-NMR, 13C-NMR, IR spectral analysis, melting point and thin layer chromatography of the candesartan key intermediate: methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate. In addition, a computational study of predicted molecular parameters, vibrational wavenumbers, frontier molecular orbitals energy diagram, molecular electrostatic potential map and other electronic distributions maps using restricted hybrid HF-DFT SCF calculation has been performed for obtaining the most stable conformer. For the most Stable conformer has been made a series of DFT calculations using the B3LYP levels using the 6-31G * basis set.

Keywords:
sartans; candesartan; frontier molecular orbitals; electrostatic potential map

Issue: 2018, Volume 69, Issue 12

Pages: 3451-3456

Publication date: 2019/1/15

https://doi.org/10.37358/RC.18.12.6767

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This article is published under the Creative Commons Attribution 4.0 International License

Citation Styles

Cite this article as:
PINTILIE, L., STEFANIU, A., NEGUT, C., TANASE, C., CAPROIU, M.T., Design and Synthesis of the Candesartan Key Intermediate, Rev. Chim., 69(12), 2018, 3451-3456.

Vancouver
Pintilie L, Stefaniu A, Negut C, Tanase C, Caproiu MT. Design and Synthesis of the Candesartan Key Intermediate. Rev. Chim.[internet]. 2018 Dec;69(12):3451-3456. Available from: https://doi.org/10.37358/RC.18.12.6767

APA 6th edition
Pintilie, L., Stefaniu, A., Negut, C., Tanase, C. & Caproiu, M.T. (2018). Design and Synthesis of the Candesartan Key Intermediate. Revista de Chimie, 69(12), 3451-3456. https://doi.org/10.37358/RC.18.12.6767

Harvard
Pintilie, L., Stefaniu, A., Negut, C., Tanase, C., Caproiu, M.T. (2018). 'Design and Synthesis of the Candesartan Key Intermediate', Revista de Chimie, 69(12), pp. 3451-3456. https://doi.org/10.37358/RC.18.12.6767

IEEE
L. Pintilie, A. Stefaniu, C. Negut, C. Tanase, M.T. Caproiu, "Design and Synthesis of the Candesartan Key Intermediate". Revista de Chimie, vol. 69, no. 12, pp. 3451-3456, 2018. [online]. https://doi.org/10.37358/RC.18.12.6767

Text
Lucia Pintilie, Amalia Stefaniu, Catalina Negut, Constantin Tanase, Miron Teodor Caproiu,
Design and Synthesis of the Candesartan Key Intermediate,
Revista de Chimie,
Volume 69, Issue 12,
2018,
Pages 3451-3456,
ISSN 2668-8212,
https://doi.org/10.37358/RC.18.12.6767.
(https://revistadechimie.ro/Articles.asp?ID=6767)
Keywords: sartans; candesartan; frontier molecular orbitals; electrostatic potential map

RIS
TY - JOUR
T1 - Design and Synthesis of the Candesartan Key Intermediate
A1 - Pintilie, Lucia
A2 - Stefaniu, Amalia
A3 - Negut, Catalina
A4 - Tanase, Constantin
A5 - Caproiu, Miron Teodor
JF - Revista de Chimie
JO - Rev. Chim.
PB - Revista de Chimie SRL
SN - 2668-8212
Y1 - 2018
VL - 69
IS - 12
SP - 3451
EP - 3456
UR - https://doi.org/10.37358/RC.18.12.6767
KW - sartans
KW - candesartan
KW - frontier molecular orbitals
KW - electrostatic potential map
ER -

BibTex
@article{RevCh2018P3451,
author = {Pintilie Lucia and Stefaniu Amalia and Negut Catalina and Tanase Constantin and Caproiu Miron Teodor},
title = {Design and Synthesis of the Candesartan Key Intermediate},
journal = {Revista de Chimie},
volume = {69},
number = {12},
pages = {3451-3456},
year = {2018},
issn = {2668-8212},
doi = {https://doi.org/10.37358/RC.18.12.6767},
url = {https://revistadechimie.ro/Articles.asp?ID=6767}
}

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