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 SM ISO690:2012CROITOR, Lilia, PETRIC, M., VLASE, Gabriela, VLASE, Titus, BOUROSH, Pavlina, SIMINEL, Anatolii, CRIŞAN, Manuela E.. A comparative thermal, structural and luminescence studies of 2-chloro-5-nitrobenzoate salts. In: Book of Abstracts: of the 28th Symposium on Thermal Analysis and Calorimetry – Eugen Segal – of the Commission for Thermal Analysis and Calorimetry of the Romanian Academy (CATCAR28), Ed. 28, 9-10 mai 2019, Chişinău. România, Arad: Gutenberg Univers Arad Publishing House, 2019, p. 57. ISBN 978-606-675-208-4. |
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Simpozionul "28th Symposium on Thermal Analysis and Calorimetry – Eugen Segal – of the Commission for Thermal Analysis and Calorimetry of the Romanian Academy (CATCAR28) " 28, Chişinău, Moldova, 9-10 mai 2019 | ||||||
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The active pharmaceutical ingredient 2-chloro-5-nitrobenzoic acid (2Cl5NB) is an antiviral agent for immunodeficiency diseases, including the human immunodeficiency virus (HIV) infection [1]. Taking into account today pharmaceutical industrial challenges, the goal of this study was to obtain and characterize new 2Cl5NB molecular salts based on pharmaceutical active monoethanolamine (MEA) anion. MEA is a naturally occurring component, used as base chemical in the production of pharmaceuticals and recently as therapeutic agent in the treatment of age-associated human diseases [2]. Herein, we present a comparative study of crystal structures, thermal stability, decomposition, kinetics and luminescent properties of two different molecular salts monoethanolammonium 2-chloro-5-nitrobenzoate (1) and N-(1,1- dimethyl-3-oxobutyl)monoethanolammonium 2-chloro-5-nitrobenzoate (2), obtained by different reaction mechanisms of 2Cl5NB with MEA, in diethylether, respectively acetone. The crystal structure determination reveals that compound 1 crystallizes in triclinic P-1 (№2) space group [3], while 2 in monoclinic P21/c (№14) space group: a=9.0876(6), b=26.7814(14), c=7.1888(5) Å, β=93.342(6)°, V= 1746.62 Å3 and both compounds are dominated by charge-assisted O–H···O– and N+ –H···O– hydrogen bonds. Thermal analysis exhibits similar melting points at ~ 120°C and an improved thermal stability for compound 2 compared to 1. In addition, a kinetic study under nonisothermal conditions was performed, using three different methods KissingerAkahira-Sunose (KAS), Friedman (FR), and nonparametric kinetics method (NPK).figureFigure 1. View of asymmetric units and thermoanalytical curves of 1 (a) and 2 (b) Figure 2. Thermal analysis for compounds 1 (red) and 2 (blue). |
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<?xml version='1.0' encoding='utf-8'?> <oai_dc:dc xmlns:dc='http://purl.org/dc/elements/1.1/' xmlns:oai_dc='http://www.openarchives.org/OAI/2.0/oai_dc/' xmlns:xsi='http://www.w3.org/2001/XMLSchema-instance' xsi:schemaLocation='http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd'> <dc:creator>Croitor, L.M.</dc:creator> <dc:creator>Petric, M.</dc:creator> <dc:creator>Vlase, G.</dc:creator> <dc:creator>Vlase, T.</dc:creator> <dc:creator>Bouroş, P.N.</dc:creator> <dc:creator>Siminel, A.V.</dc:creator> <dc:creator>Crişan, M.</dc:creator> <dc:date>2019</dc:date> <dc:description xml:lang='en'><p>The active pharmaceutical ingredient 2-chloro-5-nitrobenzoic acid (2Cl5NB) is an antiviral agent for immunodeficiency diseases, including the human immunodeficiency virus (HIV) infection [1]. Taking into account today pharmaceutical industrial challenges, the goal of this study was to obtain and characterize new 2Cl5NB molecular salts based on pharmaceutical active monoethanolamine (MEA) anion. MEA is a naturally occurring component, used as base chemical in the production of pharmaceuticals and recently as therapeutic agent in the treatment of age-associated human diseases [2]. Herein, we present a comparative study of crystal structures, thermal stability, decomposition, kinetics and luminescent properties of two different molecular salts monoethanolammonium 2-chloro-5-nitrobenzoate (1) and N-(1,1- dimethyl-3-oxobutyl)monoethanolammonium 2-chloro-5-nitrobenzoate (2), obtained by different reaction mechanisms of 2Cl5NB with MEA, in diethylether, respectively acetone. The crystal structure determination reveals that compound 1 crystallizes in triclinic P-1 (№2) space group [3], while 2 in monoclinic P21/c (№14) space group: a=9.0876(6), b=26.7814(14), c=7.1888(5) Å, β=93.342(6)°, V= 1746.62 Å3 and both compounds are dominated by charge-assisted O–H···O– and N+ –H···O– hydrogen bonds. Thermal analysis exhibits similar melting points at ~ 120°C and an improved thermal stability for compound 2 compared to 1. In addition, a kinetic study under nonisothermal conditions was performed, using three different methods KissingerAkahira-Sunose (KAS), Friedman (FR), and nonparametric kinetics method (NPK).</p><p>figure</p><p>Figure 1. View of asymmetric units and thermoanalytical curves of 1 (a) and 2 (b) Figure 2. Thermal analysis for compounds 1 (red) and 2 (blue).</p></dc:description> <dc:source>Book of Abstracts () 57-57</dc:source> <dc:title>A comparative thermal, structural and luminescence studies of 2-chloro-5-nitrobenzoate salts</dc:title> <dc:type>info:eu-repo/semantics/article</dc:type> </oai_dc:dc>
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