ChemInform Abstract: Novel 3,6-Unsymmetrically Disubstituted-1,2,4,5-tetrazines: S-Induced One-Pot Synthesis, Properties and Theoretical Study.

ChemInform ◽  
2015 ◽  
Vol 46 (26) ◽  
pp. no-no
Author(s):  
Chen Li ◽  
Haixia Ge ◽  
Bing Yin ◽  
Mengyao She ◽  
Ping Liu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
One Pot ◽  
One Pot Synthesis ◽  
Synthesis Properties

Novel 3,6-unsymmetrically disubstituted-1,2,4,5-tetrazines: S-induced one-pot synthesis, properties and theoretical study

RSC Advances ◽  
2015 ◽  
Vol 5 (16) ◽  
pp. 12277-12286 ◽  
Author(s):  
Chen Li ◽  
Haixia Ge ◽  
Bing Yin ◽  
Mengyao She ◽  
Ping Liu ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Electrochemical Properties ◽  
Theoretical Investigation ◽  
Theoretical Study ◽  
One Pot ◽  
One Pot Synthesis ◽  
Synthesis Properties ◽  
Spectral And Electrochemical Properties

18 unprecedented 3,6-unsymmetrically disubstituted-1,2,4,5-tetrazines were synthesized, and their spectral and electrochemical properties are studied. A systematic theoretical investigation based on DFT calculations was carried out.

One-pot synthesis, structure, theoretical study and vibrational spectroscopy of 5-amino-4-cyano-3H-1,2-dithiole-3-thione

2008 ◽  
Vol 888 (1-3) ◽  
pp. 354-359 ◽  
Author(s):  
Yanning Cao ◽  
Hanhui Zhang ◽  
Yiji Lin ◽  
Changcang Huang ◽  
Yiping Chen ◽  
...  
Keyword(s):  
Vibrational Spectroscopy ◽  
Theoretical Study ◽  
One Pot ◽  
One Pot Synthesis

Transition Metal-Free One-Pot Synthesis of Fused 1,4-Thiazepin-5(4H)-ones and Theoretical Study of the S–N Type Smiles Rearrangement Process

2014 ◽  
Vol 79 (17) ◽  
pp. 8040-8048 ◽  
Author(s):  
Bingchuan Yang ◽  
Xiaochen Tan ◽  
Ruiying Guo ◽  
Shunwei Chen ◽  
Zeyuan Zhang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Theoretical Study ◽  
Smiles Rearrangement ◽  
One Pot ◽  
Metal Free ◽  
One Pot Synthesis ◽  
Rearrangement Process

scholarly journals Facile One-Pot Synthesis of Benzo[h]isoquinolines via Strong Acid Triggered [1,2]-Sigmatropic Rearrangement: A Theoretical and Experimental Studies

2019 ◽  
Vol 31 (9) ◽  
pp. 2133-2138
Author(s):  
V.M. Boitsov ◽  
N.A. Knyazev ◽  
S.V. Shmakov ◽  
S.Yu. Vyazmin ◽  
D.M. Nikolaev ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Experimental Studies ◽  
Strong Acid ◽  
Sigmatropic Rearrangement ◽  
Biologically Active ◽  
One Pot ◽  
One Pot Synthesis ◽  
Rearrangement Reaction ◽  
Isoquinoline Derivatives

Benzo[h]isoquinoline scaffold is of interest as a rigid subunit that can be useful for constructing biologically active products. However, no good-yielded synthetic pathway to this ring system has been reported yet. Herein, a facile one-pot synthesis from N-aryl itaconimides and 1,3-diarylisobenzofuran via strong acid triggered skeletal rearrangement reaction is described. Theoretical study for this rearrangement is provided at M11/cc-pVDZ level of theory. Antitumor activity of obtained benzo[h]isoquinoline derivatives against human erythroleukemia K562 cell line was evaluated in vitro by MTS-assay.

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