scholarly journals A non-metal route to realize the bio-based polyester of poly(hexylene succinate): preparation conditions, side-reactions and mechanism in sulfonic acid-functionalized Brønsted acidic ionic liquids

RSC Advances ◽  
2020 ◽  
Vol 10 (58) ◽  
pp. 35381-35388
Author(s):  
Chenyang Wei ◽  
Zhengping Liu ◽  
Hongwei Tan ◽  
Liyan Huang ◽  
Jun Li
Keyword(s):  
Ionic Liquids ◽  
Dft Calculations ◽  
Sulfonic Acid ◽  
Nmr Spectra ◽  
Side Reactions ◽  
H Nmr ◽  
Preparation Conditions ◽  
Acidic Ionic Liquids

Biobased poly(hexylene succinate) synthesized in sulfonic acid-functionalized Brönsted acidic ionic liquids was monitored by 1H NMR spectra and DFT calculations.

Preparation and Crystal Structure of Genistein Benzenesulfonate Prodrugs

2008 ◽  
Vol 2008 (10) ◽  
pp. 555-558 ◽  
Author(s):  
You Peng ◽  
Zeyuan Deng ◽  
Shaojie Lang ◽  
Yawei Fan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Sulfonic Acid ◽  
Nmr Spectra ◽  
High Yield ◽  
X Ray Diffraction ◽  
Aromatic Rings ◽  
X Ray ◽  
H Nmr ◽  
Ester Prodrugs

In order to improve bioavailability and anticancer activity of genistein, a series of novel sulfonic acid ester prodrugs of the isoflavone genistein were synthesised in high yield with excellent regioselectivity. Their structures were characterised by IR, MS, elemental analysis and 1H NMR spectra. The crystal structure was examined by X-ray diffraction. X-ray structure determination revealed that all the aromatic rings in the compound are not coplanar. In the crystal structure, molecules are linked through intermolecular C-H···O hydrogen bonds, forming layers parallel to the ab plane.

Preparation of Biodiesel from Tung Oil Catalyzed by Sulfonic-Functional Brǒnsted Acidic Ionic Liquids

2011 ◽  
Vol 314-316 ◽  
pp. 1459-1462 ◽  
Author(s):  
Jian Hui Zhou ◽  
Yu Jing Lu ◽  
Bao Hua Huang ◽  
Yan Ping Huo ◽  
Kun Zhang
Keyword(s):  
Catalytic Activity ◽  
Ionic Liquids ◽  
Sulfonic Acid ◽  
Acid Group ◽  
Sulfonic Acid Group ◽  
Tung Oil ◽  
Acidic Ionic Liquids ◽  
Good Catalytic Activity

Preparation of biodiesel from tung oil catalyzed by five Brǒnsted acidic ionic liquids (ILs) with propyl sulfonic acid group was investigated. These ILs show good catalytic activity for the transeserification of tung oil. Among these ILs, [C3SO3Hmim]HSO4 showed a highest catalytic activity. In addition, these ionic liquids had a good reusability and could be easily separated from the biodiesel.

Experimental and theoretical studies on compositions, structures, and IR and NMR spectra of functionalized protic ionic liquids

2016 ◽  
Vol 18 (29) ◽  
pp. 19731-19737 ◽  
Author(s):  
Yingna Cui ◽  
Jingmei Yin ◽  
Changping Li ◽  
Shenmin Li ◽  
Ailing Wang ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Liquid Phase ◽  
Dft Calculations ◽  
Nmr Spectra ◽  
Theoretical Studies ◽  
Protic Ionic Liquids ◽  
Ir And Nmr Spectra ◽  
Experimental Spectroscopy ◽  
Experimental And Theoretical Studies

DMCEAP and DMEOAP are composed of neutral and ionized species in the liquid phase as investigated through experimental spectroscopy and DFT calculations.

Predicting the spin state of paramagnetic iron complexes by DFT calculation of proton NMR spectra

2014 ◽  
Vol 43 (25) ◽  
pp. 9486-9496 ◽  
Author(s):  
Andrea Borgogno ◽  
Federico Rastrelli ◽  
Alessandro Bagno
Keyword(s):  
Dft Calculations ◽  
Spin State ◽  
Nmr Spectra ◽  
Dft Calculation ◽  
Proton Nmr ◽  
Iron Complexes ◽  
H Nmr ◽  
Spectral Patterns

The spin state of paramagnetic iron complexes can be predicted through the different 1H NMR spectral patterns provided by DFT calculations.

Efficient Synthesis of 1-Acetylpyrene Using [Bmim]Cl–FeCl3 Ionic Liquid as Dual Catalyst and Solvent

2013 ◽  
Vol 11 (1) ◽  
pp. 1-7 ◽  
Author(s):  
Min Chen ◽  
Aixia Pan ◽  
Tong He ◽  
Lulu Xu ◽  
Yu Fang ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Ionic Liquid ◽  
Fourier Transform ◽  
Acetic Anhydride ◽  
Nmr Spectra ◽  
Metal Chloride ◽  
Lewis Acidity ◽  
Efficient Synthesis ◽  
H Nmr ◽  
Acidic Ionic Liquids

Abstract Friedel–Crafts acylation of pyrene with acetic anhydride to 1-acetylpyrene catalyzed by three metal chloride and three Lewis acidic ionic liquids (ILs) containing 1-butyl-3-methylimidazolium chloride ([Bmim]Cl) and different metal chloride was investigated. ILs were prepared and tested for the acylation to explore the effects of Lewis acidity of ILs on the synthesis of 1-acetylpyrene. [Bmim]Cl–FeCl3 was found to be the most suitable catalyst, and the possible pathway for the acylation of pyrene with acetic anhydride catalyzed by [Bmim]Cl–FeCl3-IL was discussed. Pure 1-acetylpyrene was obtained and its structure was identified by gas chromatography–mass spectrometer, Fourier transform infrared and 1H NMR spectra.

Synthesis, Characterization of Novel Hexamethyleneiminium-Based Ionic Liquids and their Application in Esterification

2011 ◽  
Vol 233-235 ◽  
pp. 155-159
Author(s):  
Gong Li ◽  
Fei Ke Wu ◽  
Hui Juan Tong
Keyword(s):  
Catalytic Activity ◽  
Ionic Liquids ◽  
Citric Acid ◽  
Hydrogen Sulfate ◽  
Catalytic Activities ◽  
H Nmr ◽  
Acidic Ionic Liquids ◽  
Ft Ir

Three novel Brønsted acidic ionic liquids (ILs), 1-(3-sulfopropyl) hexamethyleneiminium hydrogen sulfate ([HMIPS]HSO4), 1-(3-sulfopropyl) hexamethyleneiminium tosilate ([HMIPS]OTs) and 1-hexamethyleneiminium hydrogen sulfate([HMI]HSO4), were synthesized and characterized by1H NMR, FT-IR and DSC-TG. Their catalytic activities for the esterification of citric acid with n-butanol were examined and compared with the imidazolium-based ILs. The results showed that the hexamethyleneiminium-based ILs exhibits excellent catalytic activity. By using [HMIPS]HSO4as the catalyst, the yield of tributyl citrate reached 97.5%. Furthermore, the catalysts were reused at least 10 times without significant decrease in activity

scholarly journals Atropisomerism of a Podophyllotoxin Derivative: Experimental and Computational Study

2018 ◽  
Vol 13 (6) ◽  
pp. 1934578X1801300
Author(s):  
Shi-Wen Zhou ◽  
Fei Jiang ◽  
Yang Yu ◽  
Xiu-Yong Huang ◽  
Yong-Heng Wang ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Nmr Spectra ◽  
Computational Study ◽  
Variable Temperature ◽  
Exchange Process ◽  
Single Bond ◽  
H Nmr ◽  
Dysosma Versipellis ◽  
Dynamic Exchange ◽  
C Nmr

Diphyllin-7′- O-β-D-glucoside, a podophyllotoxin derivative, was isolated from the roots of Dysosma versipellis. The 1H and 13C NMR spectra acquired at 300 K exhibited doubling of signals, suggesting the existence of two rotamers in solution. Variable-temperature 1H NMR experiments indicated a dynamic exchange process between the two rotamers. DFT calculations verified nearly equal energies for the two rotamers about the single bond C7′-O7.

N,N,N′,N′-Tetramethylethylene-diaminium-N,N′-disulfonic acid trifluoroacetate and pyridinium-N-sulfonic acid hydrogen sulfate as highly effective dual-functional catalysts for the preparation of N,N′-alkylidene bisamides

2019 ◽  
Vol 74 (9) ◽  
pp. 641-647 ◽  
Author(s):  
Zahra Kordrostami ◽  
Abdolkarim Zare ◽  
Mostafa Karami
Keyword(s):  
Ionic Liquids ◽  
Sulfonic Acid ◽  
Reaction Times ◽  
Solvent Free ◽  
Disulfonic Acid ◽  
Hydrogen Sulfate ◽  
Reaction Conditions ◽  
Dual Functional ◽  
Solvent Free Conditions ◽  
Acidic Ionic Liquids

AbstractIn this research, Brønsted-acidic ionic liquids N,N,N′,N′-tetramethylethylene-diaminium-N,N′-disulfonic acid trifluoroacetate ([TMEDSA][TFA]2) and pyridinium-N-sulfonic acid hydrogen sulfate ([Py-SO3H][HSO4]) have been introduced as dual-functional catalysts for the green, simple and effective preparation of N,N′-alkylidene bisamides by the reaction of primary amides (2 eq.) with arylaldehydes (1 eq.) under solvent-free conditions. The reaction results and conditions of the catalysts have been compared with the previously reported ones. [TMEDSA][TFA]2 and [Py-SO3H][HSO4] were superior to the previously reported catalysts in terms of two or more of these factors: reaction times (10–45 min), yields (86–98%), temperature and the reaction conditions. Additionally, a plausible and attractive mechanism based on dual functionality of the catalysts has been proposed.

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