Synthesis, spectroscopic characterization, X-ray analysis and theoretical studies on the spectral features (FT-IR, 1H-NMR), chemical reactivity, NBO analyses of 2-(4-fluorophenyl)-2-(4-fluorophenylamino)acetonitrile and its docking into IDO enzyme

RSC Advances ◽  
2015 ◽  
Vol 5 (99) ◽  
pp. 80967-80977 ◽  
Author(s):  
Goutam Brahmachari ◽  
Abhishek Kumar ◽  
Ambrish Kumar Srivastava ◽  
Shashi Gangwar ◽  
Neeraj Misra ◽  
...  
Keyword(s):  
Green Synthesis ◽  
1H Nmr ◽  
Chemical Reactivity ◽  
Spectroscopic Characterization ◽  
Theoretical Studies ◽  
Spectral Features ◽  
One Pot ◽  
X Ray ◽  
Ft Ir

One-pot green synthesis and combined spectral and theoretical studies of 2-(4-fluorophenyl)-2-(4-fluorophenylamino)acetonitrile along with its X-ray crystallographic properties are described.

scholarly journals Synthesis of new bimetallic phosphate (Al/Ag3PO4) and study for its Catalytic performance in the synthesis of 1,2-dihydro-l-phenyl-3H-naphth [1,2-e]-[1,3] oxazin-3-one derivatives

2021 ◽  
Vol 11 (3) ◽  
pp. 215
Author(s):  
Achraf El Hallaoui ◽  
Tourya Ghailane ◽  
Soukaina Chehab ◽  
Youssef Merroun ◽  
Rachida Ghailane ◽  
...  
Keyword(s):  
Reaction Times ◽  
Catalytic Performance ◽  
X Ray Diffraction ◽  
One Pot ◽  
X Ray ◽  
Silver Sulfate ◽  
Triple Super Phosphate ◽  
Aryl Aldehyde ◽  
Ft Ir ◽  
First Time

<p>This work aims to prepare a new bimetallic phosphate catalyst using a new simple and effective method. This new catalyst was ready for the first time by a modification of Triple Super Phosphate (TSP) fertilizer with silver sulfate (AgSO<sub>4</sub>), followed by the impregnation of the aluminum atoms using aluminum nitrate (Al(NO<sub>3</sub>)<sub>3</sub>). The use of Al/Ag<sub>3</sub>PO<sub>4</sub>, for the first time as a heterogeneous catalyst in organic chemistry, offers a new, efficient, and green pathway for synthesizing 1,2-dihydro-l-phenyl-3H-naphth[1,2-e]-[1,3]oxazin-3-one derivatives by one-pot three-component cyclocondensation of b-naphthol, aryl aldehyde, and urea. The structure and the morphology of the prepared catalyst were characterized by spectroscopic methods such as X-Ray Diffraction (XRD), Fourier Transform Infrared spectroscopy (FT-IR), and dispersive X-ray spectrometry coupled with a scanning electron microscope (EDX-SEM). In addition, the optimization of the reaction parameters was carried out considering the effect of catalyst amount, the temperature, and the solvent. The procedure described herein allowed a comfortable preparation of oxazine derivatives with excellent yields, short reaction times, and in the absence of organic solvent.</p>

Isolation, spectroscopic characterization, X-ray, theoretical studies as well as in vitro cytotoxicity of Samarcandin

2016 ◽  
Vol 66 ◽  
pp. 27-32 ◽  
Author(s):  
Salar Hafez Ghoran ◽  
Vahideh Atabaki ◽  
Esmaeil Babaei ◽  
Seyed Reza Olfatkhah ◽  
Michal Dusek ◽  
...  
Keyword(s):  
Spectroscopic Characterization ◽  
In Vitro Cytotoxicity ◽  
Theoretical Studies ◽  
X Ray

scholarly journals Synthesis, Crystal Structures, and Spectroscopic Characterization of Bis-aldehyde Monomers and Their Electrically Conductive Pristine Polyazomethines

Polymers ◽  
2019 ◽  
Vol 11 (9) ◽  
pp. 1498 ◽  
Author(s):  
Abdul Hafeez ◽  
Zareen Akhter ◽  
John F. Gallagher ◽  
Nawazish Ali Khan ◽  
Asghari Gul ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Spectroscopic Characterization ◽  
Spectroscopic Techniques ◽  
Conductivity Measurements ◽  
X Ray Diffraction ◽  
Electrically Conductive ◽  
X Ray ◽  
Vis Spectroscopy ◽  
Ft Ir

Bis-aldehyde monomers 4-(4′-formyl-phenoxy)benzaldehyde (3a), 3-methoxy-4-(4′-formyl-phenoxy)benzaldehyde (3b), and 3-ethoxy-4-(4′-formyl-phenoxy)benzaldehyde (3c) were synthesized by etherification of 4-fluorobenzaldehyde (1) with 4-hydroxybenzaldehyde (2a), 3-methoxy-4-hydroxybenzaldehyde (2b), and 3-ethoxy-4-hydroxybenzaldehyde (2c), respectively. Each monomer was polymerized with p-phenylenediamine and 4,4′-diaminodiphenyl ether to yield six poly(azomethine)s. Single crystal X-ray diffraction structures of 3b and 3c were determined. The structural characterization of the monomers and poly(azomethine)s was performed by FT-IR and NMR spectroscopic techniques and elemental analysis. Physicochemical properties of polymers were investigated by powder X-ray diffraction, thermogravimetric analysis (TGA), viscometry, UV–vis, spectroscopy and photoluminescence. These polymers were subjected to electrical conductivity measurements by the four-probe method, and their conductivities were found to be in the range 4.0 × 10−5 to 6.4 × 10−5 Scm−1, which was significantly higher than the values reported so far.

scholarly journals Crosslinked sulfonated polyacrylamide (Cross-PAA-SO3H) tethered to nano-Fe3O4 as a superior catalyst for the synthesis of 1,3-thiazoles

BMC Chemistry ◽  
2019 ◽  
Vol 13 (1) ◽  
Author(s):  
Hossein Shahbazi-Alavi ◽  
Sheida Khojasteh-Khosro ◽  
Javad Safaei-Ghomi ◽  
Maryam Tavazo
Keyword(s):  
Fourier Transform ◽  
Phenacyl Bromide ◽  
Vibrating Sample Magnetometer ◽  
Synthetic Route ◽  
One Pot ◽  
X Ray ◽  
Ft Ir ◽  
Sulfonated Polyacrylamide ◽  
Nano Fe3o4 ◽  
Scanning Electron

Abstract Crosslinked sulfonated polyacrylamide (Cross-PAA-SO3H) attached to nano-Fe3O4 as a superior catalyst has been used for the synthesis of 3-alkyl-4-phenyl-1,3-thiazole-2(3H)-thione derivatives through a three-component reactions of phenacyl bromide or 4-methoxyphenacyl bromide, carbon disulfide and primary amine under reflux condition in ethanol. A proper, atom-economical, straightforward one-pot multicomponent synthetic route for the synthesis of 1,3-thiazoles in good yields has been devised using crosslinked sulfonated polyacrylamide (Cross-PAA-SO3H) tethered to nano-Fe3O4. The catalyst has been characterized by Fourier-transform infrared spectroscopy (FT-IR), scanning electron microscope (SEM), dynamic light scattering (DLS), X-ray powder diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS), thermogravimetric analysis (TGA) and vibrating-sample magnetometer (VSM).

Spectroscopic Characterization of Wilkinson's Catalyst Using X-ray Photoelectron Spectroscopy (ESCA)

1982 ◽  
Vol 36 (3) ◽  
pp. 290-296 ◽  
Author(s):  
Manuel Carvalho ◽  
Larry F. Wieserman ◽  
David M. Hercules
Keyword(s):  
Binding Energy ◽  
Photoelectron Spectroscopy ◽  
Analytical Techniques ◽  
Spectroscopic Characterization ◽  
Homogeneous Hydrogenation ◽  
X Ray ◽  
Wilkinson’S Catalyst ◽  
Ft Ir ◽  
Wilkinson's Catalyst

Wilkinson's catalyst, RhCl(PPh3)3 is a well known and widely used homogeneous hydrogenation catalyst. This catalyst was analyzed by ESCA which revealed that two rhodium species [Rh(I) and Rh(III)] were present, both for commercial preparations and for catalysts prepared in this laboratory. The ratio of Rh(I) to Rh(III) was 3:2 regardless of the source. A different method of synthesizing RhCl(PPh3)3 was used and produced a compound having only Rh(I) species. Additional analytical techniques such as elemental analysis, FT-IR, liquid chromatography, and 31P NMR were used to determine the origin of the higher binding energy peaks when Wilkinson's procedure was used to prepare RhCl(PPh3)3. Hydrogenation of cyclohexene was also performed to determine the effect of the higher binding energy species on catalytic activity.

scholarly journals Preparation, Spectroscopic Characterization and Theoretical Studies of Transition Metal Complexes with 1-[(2-(1H-indol-3-yl)ethylimino)methyl]naphthalene-2-ol Ligand

2019 ◽  
Vol 31 (11) ◽  
pp. 2430-2438 ◽  
Author(s):  
Vian Yamin Jirjees ◽  
Veyan Taher Suleman ◽  
Abbas Ali Salih Al-Hamdani ◽  
Suzan Duraid Ahmed
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Spectroscopic Characterization ◽  
Bidentate Ligand ◽  
Spectroscopic Techniques ◽  
Theoretical Studies ◽  
Ft Ir ◽  
Uv Visible ◽  
Methyl Naphthalene

A new Schiff base [1-((2-(1H-indol-3-yl)ethylimino)methyl)naphthalene-2-ol] (HL) has been synthesized by condensing (2-hydroxy-1-naphthaldehyde) with (2-(1H-indol-3-yl)ethylamine). In turn, its transition metal complexes were prepared having the general formula; [Pt(IV)Cl2(L)2], [Re(V)Cl2(L)2]Cl and [Pd(L)2], 2K[M(II)Cl2(L)2] where M(II) = Co, Ni, Cu] are reported. Ligand as well as metal complexes are characterized by spectroscopic techniques such as FT-IR, UV-visible, 13C & 1H NMR, mass, elemental analysis. The results suggested that the ligand behaves like a bidentate ligand for all the synthesized complexes. On the other hand, theoretical studies of the ligand as well its metal complexes were conducted at gas phase using HyperChem 8.0. These metal complexes exhibited good antibacterial activity.

Sign in / Sign up

Export Citation Format

Share Document