scholarly journals 2-Propyl-N′-[1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene]pentanehydrazide

Molbank ◽  
10.3390/m1164 ◽  
2020 ◽  
Vol 2020 (4) ◽  
pp. M1164
Author(s):  
Mariia Nesterkina ◽  
Dmytro Barbalat ◽  
Ildar Rakipov ◽  
Iryna Kravchenko
Keyword(s):  
Mass Spectrometry ◽  
Valproic Acid ◽  
Spectral Analysis ◽  
Thermal Properties ◽  
1H Nmr ◽  
13C Nmr ◽  
Agent Based ◽  
Anticonvulsant Agent ◽  
Fab Mass Spectrometry

2-Propyl-N′-[1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene]pentanehydrazide was obtained in 80% yield via the Einhorn variation of the Schotten–Baumann method by (+)-camphor hydrazide condensation with valproic acid (VPA) chloride. The structure of the titled compound was verified by Raman, FTIR, 1H-NMR, and 13C-NMR spectral analysis along with FAB-mass spectrometry. Thermal properties of synthesized derivative were elucidated by DSC and its purity by HPLC. The compound was successfully tested as a potential anticonvulsant agent based on models of chemically- and electrically-induced seizures.

Synthesis and Spectral Characterization of New S-Alkylated 1,2,4-Triazoles as Potential Biological Agents

2017 ◽  
Vol 68 (10) ◽  
pp. 2436-2439
Author(s):  
Stefania Felicia Barbuceanu ◽  
Laura Ileana Socea ◽  
Constantin Draghici ◽  
Elena Mihaela Pahontu ◽  
Theodora Venera Apostol ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Spectral Data ◽  
1H Nmr ◽  
Elemental Analysis ◽  
13C Nmr ◽  
Ethyl Bromide ◽  
Spectral Characterization ◽  
Basic Medium ◽  
Phenacyl Bromide

In the work we presented the behavior of 5-(4-(4-X-phenylsulfonyl)phenyl)-4-(n-propyl)-2H-1,2,4-triazole-3(4H)-thiones (X= Cl or Br) with some alkylation agents. Thus, new S-alkylated 1,2,4-triazole derivatives were synthesized by reaction of the corresponding 1,2,4-triazole-3-thione derivatives with different �-halogenated compounds (ethyl bromide, ethyl chloroacetate or phenacyl bromide), in basic medium. The structures of synthesized compounds were elucidated by spectral data (1H-NMR, 13C-NMR, mass spectrometry) and elemental analysis.

scholarly journals Role of the Anilinium Ion on the Selective Polymerization of Anilinium 2-Acrylamide-2-methyl-1-propanesulfonate

Polymers ◽  
2021 ◽  
Vol 13 (14) ◽  
pp. 2349
Author(s):  
Alain Salvador Conejo-Dávila ◽  
Marco Armando Moya-Quevedo ◽  
David Chávez-Flores ◽  
Alejandro Vega-Rios ◽  
Erasto Armando Zaragoza-Contreras
Keyword(s):  
Cyclic Voltammetry ◽  
Optical Properties ◽  
Thermal Properties ◽  
Free Radical ◽  
1H Nmr ◽  
Molecular Interactions ◽  
13C Nmr ◽  
Oxidative Polymerization ◽  
Cyclic Voltammetry Analysis

The development of anilinium 2-acrylamide-2-methyl-1-propanesulfonate (Ani-AMPS) monomer, confirmed by 1H NMR, 13C NMR, and FTIR, is systematically studied. Ani-AMPS contains two polymerizable functional groups, so it was submitted to selective polymerization either by free-radical or oxidative polymerization. Therefore, poly(anilinium 2-acrylamide-2-methyl-1-propanesulfonic) [Poly(Ani-AMPS)] and polyaniline doped with 2-acrylamide-2-methyl-1-propanesulfonic acid [PAni-AMPS] can be obtained. First, the acrylamide polymer, poly(Ani-AMPS), favored the π-stacking of the anilinium group produced by the inter- and intra-molecular interactions and was studied utilizing 1H NMR, 13C NMR, FTIR, and UV-Vis-NIR. Furthermore, poly(Ani-AMPS) fluorescence shows quenching in the presence of Fe2+ and Fe3+ in the emission spectrum at 347 nm. In contrast, the typical behavior of polyaniline is observed in the cyclic voltammetry analysis for PAni-AMPS. The optical properties also show a significant change at pH 4.4. The PAni-AMPS structure was corroborated through FTIR, while the thermal properties and morphology were analyzed utilizing TGA, DSC (except PAni-AMPS), and FESEM.

Synthesis of urease inhibitory 2, 4-bis (4-cyanobenzyl)glycoluril using sandmeyer reaction and density functional theory investigation

2021 ◽  
Vol 18 ◽  
Author(s):  
Mirza Arfan Yawer ◽  
Shehar Bano ◽  
Muhammad Saleem ◽  
Affiefa Yawer ◽  
Riaz Hussain ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Density Functional Theory ◽  
1H Nmr ◽  
13C Nmr ◽  
Density Functional ◽  
Spectroscopic Techniques ◽  
Pure Compound ◽  
Functional Theory ◽  
Sandmeyer Reaction ◽  
Urease Enzyme

Aims: The aim of present research was to synthesize glycoluril derivative 2,4-Bis(4-cyanobenzyl)glycoluril through convergent scheme. Background: For this purpose Sandmeyer reaction procedure was employed for the synthesis of said compound. The structure of the pure compound was confirmed by using different spectroscopic techniques such as 1H-NMR, 13C-NMR and (HR-MS) Mass spectrometry. Objective: Convergent synthesis of 2,4-BIS (4-CYANOBENZYL)GLYCOLURIL USING SANDMEYER REACTION and urease inhibition study. Methods: The structure of the pure compound was confirmed by using different spectroscopic techniques such as 1H-NMR, 13C-NMR and (HR-MS) Mass spectrometry. The electronic properties of newly synthesized compound and thiourea were determined by using density functional theory. Results: Furthermore compound was evaluated against urease enzyme and was found to be potent inhibitors with IC50 value of 11.5 ± 1.50 µM when compared with standard inhibitor thiourea (IC50 = 21.0 ± 1.90 µM). Compound may serve as lead compound for the synthesis of new cyano based bambusuril in future with enhanced biological properties. Conclusion: We have synthesized a new glycoluril derivative 2,4-Bis(4-cyanobenzyl)glycoluril by the sandmeyer reaction. It has obtained in the form of light yellowish powder in good yield (96%). Glycoluril based macrocycles have been used in various fields. Starting from the 2,4-Bis(4-nitrobenzyl)glycoluril (already reported compound) which has undergone reduction (CH3OH,Pt/C) , diazotization (NaNO2/HCl), cyanation (CuCl/KCN) respectively in order to synthesize the desired new glycoluril derivative. The obtained product will be used as a building block for the synthesis of the cyano based bambusuril marcocycle in future. The yield of the obtained product has been monitored by using different amount of cyanating reagent but the best results shown by the use of 4 mmol of CuCl/KCN. KCN with CuCl assisted the conversion of diazo group into cyano group with enhanced yield when used in excess amount. It act as a catalyst. Solubility characteristic of 2,4-Bis(4-cyanobenzyl)glycoluril has determined also in different organic solvents. 1H NMR technique proved to be very helpful for the structure determination of our desired product. Benzylic protons give signals at 7.5 ppm and 7.8 ppm respectively. The downfield peaks confirm about the presence of CN group near the benzylic protons. Methine protons show signal at 5.2 ppm which ensures about the basic skeleton of glycoluril. Ureidyl protons also confirm the synthesis of the heterocyclic 2,4-Bis(4-cyanobenzyl)glycoluril compound. The negative and positive electrostatic potential sites, molecular descriptors, and charge density distribution of frontier molecular orbitals are revealing that 4a with promising sites for electrophilic and nucleophilic attacks would result to enhance the urease inhbition which is in good agreement with the experimental data.

scholarly journals Complete 1H-NMR and 13C-NMR spectral analysis of the pairs of 20(S) and 20(R) ginsenosides

2014 ◽  
Vol 38 (3) ◽  
pp. 194-202 ◽  
Author(s):  
Heejung Yang ◽  
Jeom Yong Kim ◽  
Sun Ok Kim ◽  
Young Hyo Yoo ◽  
Sang Hyun Sung
Keyword(s):  
Spectral Analysis ◽  
1H Nmr ◽  
13C Nmr

scholarly journals Bis(4,6-dimethyl-2-pyridylseleno)zinc 3,3’-dicyanide, A Potent Antifungal Agent

2019 ◽  
pp. 1-4
Author(s):  
V. H. Shah ◽  
A. A. Zohri ◽  
P. K. Talpara ◽  
P. A. Sangala ◽  
M. A. Abdelazim
Keyword(s):  
Mass Spectrometry ◽  
Antifungal Activity ◽  
1H Nmr ◽  
13C Nmr ◽  
Antifungal Agent ◽  
Candida Glabrata ◽  
Biological Screening ◽  
Spectral Analyses ◽  
Reference Drug

A novel zinc chelate of 3-cyano-4,6-dimethyl-2(1H)-selenone pyridine was synthesized and its structure was confirmed on the basis IR, 1H NMR, 13C NMR spectral analyses and TOF mass spectrometry. Biological screening against Candida glabrata reveals a greater antifungal activity of the zinc chelate as compared to the fluconazole reference drug.

1,2,4-triazoles Clubbed Pyrimidine Compounds with Synthesis, Antimicrobial, Antituberculosis, Antimalarial, and Anti-protozoal Studies

2020 ◽  
Vol 17 ◽  
Author(s):  
Navin B. Patel ◽  
Hetal I. Soni ◽  
Rahul B. Parmar ◽  
Manuel J. Chan-Bacab ◽  
Gildardo Rivera
Keyword(s):  
Spectral Analysis ◽  
1H Nmr ◽  
13C Nmr ◽  
Antifungal Agent ◽  
New Products ◽  
Antifungal Drugs ◽  
Bioactive Molecules ◽  
Mass Spectral Analysis ◽  
Mass Spectral

: Triazoles are famous as an antifungal agent. Itraconazole and fluconazole are the best examples of antifungal drugs available in the market, which consist an active triazole moiety. Pyrimidines are also bioactive molecules which shows multiple bioactivity. It’s an effort to synthesize pyrimidine clubbed triazole to enhance bioactivity. To synthesize new active pyrimidine clubbed triazole biomolecule and to evaluate these new products for better drug potential as antimicrobial, an-tituberculosis, antimalarial, and anti-protozoal. N-[4-(substituted phenyl)-6-(substituted aryl) pyrimidine-2-yl]-2-[(4H-1,2,4-triazol-4-yl)amino]acetamide(3A-J) were synthesized by different method as cyclization, condensation, purification and crystallization. The newly synthesized compounds were characterized by IR, 1H NMR, 13C NMR and mass spectral analysis and screened for antibacterial, antifungal, anti-tuberculosis, antimalarial, and anti-protozoal activities. These com-pounds satisfied the bioactive response and simple way for the synthesis.

Cyclodextrin complexes of the anticonvulsant agent valproic acid

CrystEngComm ◽  
2021 ◽  
Author(s):  
Alexios Ivan Vicatos ◽  
Mino R. Caira
Keyword(s):  
Thermal Analysis ◽  
Valproic Acid ◽  
Antiepileptic Drug ◽  
1H Nmr ◽  
X Ray Diffraction ◽  
Cyclodextrin Complexes ◽  
X Ray ◽  
Anticonvulsant Agent ◽  
Co Precipitation

Six cyclodextrin (CD) complexes of the antiepileptic drug valproic acid (VAL) were prepared by kneading and/or co-precipitation methods and characterized by thermal analysis, powder X-ray diffraction and spectroscopic (1H NMR...

scholarly journals Teknik Isolasi dan Penentuan Struktur Mangiferin: Senyawa Aktif dari Tanaman Mangga (Mangifera indica L.)

2020 ◽  
Vol 5 (4) ◽  
Author(s):  
Luluk Luqyana Zahrah Taqiudina Mahdiyah ◽  
Ahmad Muhtadi ◽  
Aliya Nur Hasanah
Keyword(s):  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Liquid Chromatography ◽  
Magnetic Resonance ◽  
1H Nmr ◽  
13C Nmr ◽  
Mangifera Indica ◽  
Liquid Chromatography Mass Spectrometry ◽  
Chromatography Mass Spectrometry ◽  
Nuclear Magnetic

Tanaman mangga (Mangifera indica L.) adalah tanaman berbuah musiman yang banyak terdapat di Indonesia. Secara umum, daun tanaman ini mengandung saponin, alkaloid, fenol, tannin, flavonoid, steroid, diterpene dan glikosida. Senyawa metabolit sekunder yang umum ditemukan dalam tanaman ini adalah mangiferin (2-C-β-D-glucopyranosyl-1,3,6,7-tetrahydroxyxanthone), yang termasuk dalam golongan polifenol. Mangiferin memiliki beberapa aktivitas seperti antikanker, antiinflamasi, antidiabetes, dan antihiperlipidemia. Artikel ini membahas teknik isolasi mangiferin dan elusidasi strukturnya yang dilakukan dengan kombinasi spektrofotometri infra merah, Kromatografi Cair-Spektroskopi Massa (Liquid Chromatography-Mass Spectrometry/LC-MS), dan spektroskopi Resonansi Magnetik Inti (Nuclear Magnetic Resonance/NMR) baik berupa 1H-NMR ataupun 13C-NMR. Metode yang digunakan adalah review pustaka dengan pustaka yang digunakan sebanyak 34 artikel yang berasal dari jurnal internasional. Hasil yang didapatkan yaitu isolasi mangiferin dari tanaman mangga dapat dilakukan dengan metode refluks, soxhletasi, partisi tiga fase atau dengan bantuan microwave. Dari hasil tersebut, ditemukan bahwa ekstraksi dengan bantuan microwave memberikan persentase mangiferin lebih tinggi dari metode lain. Tetapi, penggunaan skala besar masih jarang dilakukan karena kemampuan penetrasi microwave yang rendah sehingga ada kemungkinan pemanasan kurang merata.

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