scholarly journals 6,6′-{[Ethane-1,2-diylbis(azaneylylidene)]bis(methaneylylidene)}bis[2-(hexyloxy)phenolato] Nickel(II)

Molbank ◽  
10.3390/m1174 ◽  
2020 ◽  
Vol 2020 (4) ◽  
pp. M1174
Author(s):  
Daniil A. Lukyanov ◽  
Anna S. Borisova ◽  
Oleg V. Levin
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Fourier Transform ◽  
High Resolution Mass Spectrometry ◽  
Nickel Complexes ◽  
Polar Solvents ◽  
13C Nuclear Magnetic Resonance ◽  
Wide Range ◽  
Resolution Mass

Polymeric nickel complexes of salen ligands meet a wide range of applications in catalysis and electrochemistry. Because these polymers usually form very rigid films, the introduction of the conformationally flexible fragments in the corresponding monomers favors the amorphization and, thus, the mass transport. Herein we report a preparation of the hexyloxy-substituted monomeric NiSalen complex by the direct alkylation of the hydroxy-substituted complex. The resulting product was characterized by the 1H and 13C nuclear magnetic resonance (NMR), ESI-high resolution mass spectrometry (ESI-HRMS, and Fourier-transform infrared spectroscopy (FTIR). The crystal structure of the product was examined by an XRD, indicating the formation of the solvate with dichloromethane. The obtained product was found to be highly soluble in non-polar solvents, in contrast to typical NiSalens.

scholarly journals 5-(4-Bromophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

Molbank ◽  
10.3390/m1037 ◽  
2018 ◽  
Vol 2018 (4) ◽  
pp. M1037
Author(s):  
Kautsar Haq ◽  
Mareta Liawati ◽  
Abdulloh Abdulloh ◽  
Hery Suwito
Keyword(s):  
Molecular Structure ◽  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Fourier Transform ◽  
Magnetic Resonance ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
Nmr Spectrum ◽  
Cyclocondensation Reaction ◽  
Resolution Mass

A derivative of dihydrotetrazolopyrimidine has been successfully synthesized through a cyclocondensation reaction between a chalcone derivative with 5-aminotetrazole. The molecular structure of the title compound was established based on Fourier transform infrared spectra (FTIR), high-resolution mass spectrometry (HRMS), 1D and 2D nuclear magnetic resonance (NMR) spectrum.

scholarly journals Chloro- and BF2bdk-substituted dithienylethene: Synthesis, photophysical properties, and optical switching behavior

2020 ◽  
pp. 174751982095141
Author(s):  
Zhiqiang Lu ◽  
Wenbo Yang ◽  
Yanhui Bai ◽  
Mo Wang ◽  
Zixu Li ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Optical Switching ◽  
High Resolution Mass Spectrometry ◽  
Photophysical Properties ◽  
Red Light ◽  
Switching Behavior ◽  
Polar Solvents ◽  
H Nmr ◽  
Resolution Mass ◽  
C Nmr

A novel chloro- and BF2bdk-substituted dithienylethene derivative, in which a chlorine atom and a difluoroboron β-diketonate (BF2bdk) group are appended at the termini of the dithienylethene core, is developed. The structure was confirmed by 1H NMR, 13C NMR, and high-resolution mass spectrometry (electrospray ionization). It displayed solvent-dependent photophysical properties, and blue/red light-triggered optical switching behavior in nonpolar or less polar solvents.

scholarly journals Synthesis of spiro[benzo[4,5]imidazo[2,1-b][1,3]thiazole-2,3-thiolane]s via sulfa-Michael/aldol cascade reactions

2019 ◽  
Vol 43 (1-2) ◽  
pp. 63-66 ◽  
Author(s):  
Jiaying Lei ◽  
Xinliang Fu ◽  
Yulin Huang ◽  
Xiaofang Li
Keyword(s):  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
Cascade Reactions ◽  
Cascade Reaction ◽  
Crystallographic Analysis ◽  
X Ray ◽  
Resolution Mass

The sulfa-Michael/aldol cascade reaction of ( Z)-2-arylmethylidene-benzo[4,5]imidazo[2,1- b]thiazol-3(2H)-ones and 1,4-dithiane-2,5-diol afforded novel 2-aryl-4-hydroxy-spiro[benzo[4,5]imidazo[2,1- b][1,3]thiazole-2,3-thiolan]-3-ones in moderate yields. The structures of all the products were characterized thoroughly by nuclear magnetic resonance, infrared and high-resolution mass spectrometry together with X-ray crystallographic analysis.

scholarly journals Synthesis and Crystal Structure of Unexpected (1S,4R,5R,6S)-4-Cyano-2,2,6-trimethyl-3-azabicyclo[3.3.1]nonan-6-yl Acetate

2017 ◽  
Vol 70 (12) ◽  
pp. 1269
Author(s):  
Steven Gareth Williams ◽  
Mohan Bhadbhade ◽  
Roger Bishop ◽  
Alison Thavary Ung
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
High Resolution Mass Spectrometry ◽  
Unit Cell Parameters ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters ◽  
X Ray Crystallography ◽  
Ir And Nmr Spectroscopy ◽  
Resolution Mass

The reaction of (–)-β-pinene with KCN under a mild bridged Ritter reaction gave (1S,5R,6S)-2,2,6-trimethyl-3-aza-bicyclo[3.3.1]non-3-en-6-yl acetate that subsequently reacted to provide an unexpected (1S,4R,5R,6S)-4-cyano-2,2,6-trimethyl-3-azabicyclo[3.3.1]nonane-6-yl acetate. The structure of the compound was determined by high-resolution mass spectrometry, and IR and NMR spectroscopy and confirmed by single crystal X-ray crystallography. The compound crystallises in the monoclinic P21 space group, with unit cell parameters a 8.6120 (17), b 7.4570 (15), c 11.189 (2) Å, and β 110.16 (3)°.

scholarly journals Bioactive Indolyl Diketopiperazines from the Marine Derived Endophytic Aspergillus versicolor DY180635

Marine Drugs ◽  
2020 ◽  
Vol 18 (7) ◽  
pp. 338
Author(s):  
Yi Ding ◽  
Xiaojing Zhu ◽  
Liling Hao ◽  
Mengyao Zhao ◽  
Qiang Hua ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
High Performance Liquid Chromatography ◽  
Liquid Chromatography ◽  
High Performance ◽  
High Resolution Mass Spectrometry ◽  
Virus Disease ◽  
Aspergillus Versicolor ◽  
Solid Culture ◽  
Resolution Mass

Four new indolyl diketopiperazines, aspamides A–E (1–4) and two new diketopiperazines, aspamides F–G (5–6), along with 11 known diketopiperazines and intermediates were isolated from the solid culture of Aspergillus versicolor, which is an endophyte with the sea crab (Chiromantes haematocheir). Further chiral high-performance liquid chromatography resolution gave enantiomers (+)- and (−)-4, respectively. The structures and absolute configurations of compounds 1–6 were determined by the comprehensive analyses of nuclear magnetic resonance (NMR), high-resolution mass spectrometry (HR-MS), and electronic circular dichroism (ECD) calculation. All isolated compounds were selected for the virtual screening on the coronavirus 3-chymoretpsin-like protease (Mpro) of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), and the docking scores of compounds 1–2, 5, 6, 8 and 17 were top among all screened molecules, may be helpful in fighting with Corona Virus Disease-19 (COVID-19) after further studies.

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