scholarly journals One-pot synthesis of 1,3,5-triazine-2,4-dithione derivatives via three-component reactions

2020 ◽  
Vol 16 ◽  
pp. 1447-1455 ◽  
Author(s):  
Gui-Feng Kang ◽  
Gang Zhang
Keyword(s):  
Single Crystal ◽  
Dual Role ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
One Pot ◽  
Diverse Range ◽  
X Ray ◽  
One Pot Synthesis ◽  
Synthetic Strategy

A catalyst-free one-pot synthetic methodology was developed for the preparation of 1,3,5-triazine-2,4-dithione derivatives through three-component reactions of arylaldehydes, thiourea, and orthoformates. The procedure tolerated a diverse range of arylaldehydes and orthoformates and provided a rapid entry to a variety of 4-aryl-6-(alkylthio)-3,4-dihydro-1,3,5-triazine-2(1H)-thiones (29 examples). The synthetic strategy relies on the dual role of thiourea in the cyclization with the aldehydes and the alkylation via an intermediate imidate formation. The structures of 1,3,5-triazine-2,4-dithione derivatives were characterized by spectroscopic techniques as well as by single crystal X-ray diffraction.

scholarly journals One-Pot Synthesis, X-ray Single Crystal and Molecular Insight of Enaminone-Based β-Morpholino-/N-Methylpiperazinyl-/Pyrrolidinylpropiophenone

Crystals ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 282
Author(s):  
Assem Barakat ◽  
Saied M. Soliman ◽  
Matti Haukka ◽  
Abdullah Mohammed Al-Majid ◽  
Mohammad Shahidul Islam ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Spectroscopic Properties ◽  
Secondary Amines ◽  
Dft Studies ◽  
X Ray Diffraction ◽  
One Pot ◽  
X Ray ◽  
One Pot Synthesis ◽  
Hirshfeld Analysis

One-pot synthesis of three enaminones, (E)-1-(4-chlorophenyl)-3-morpholinoprop-2-en-1-one 1, (E)-1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-en-1-one 2, and (E)-1-(4-chlorophenyl)-3-(pyrrolidin-1-yl)prop-2-en-1-one 3 were achieved. The synthetic protocol via three components reaction of p-chloroacetophenone with DMFDMA (N,N-dimethylformamid-dimethylacetal) and the corresponding secondary amines (morpholine/N-methylpiperazine/pyrrolidine) in dioxane under heating for 2.5–4 h at 102 °C yielded the requisite enaminones. This protocol has the advantage of no separation of intermediate, no need for column purification with quantitative yield for the target compounds. The chemical features of the β-enaminones 1–3 were assigned by NMR. β-Enaminones 1, and 2 were assigned by single crystal X-ray diffraction technique. The intermolecular interactions in the crystal structures were analyzed quantitatively using Hirshfeld analysis. The Cl…H and O…H hydrogen bonds are common in both compounds while the C-H…π and N…H contacts are more significant in 2 than 1. DFT studies were investigated to show the electronic and spectroscopic properties (NMR and UV-Vis) of the studied systems.

scholarly journals A convenient four-component one-pot strategy toward the synthesis of pyrazolo[3,4-d]pyrimidines

2015 ◽  
Vol 11 ◽  
pp. 2125-2131 ◽  
Author(s):  
Mingxing Liu ◽  
Jiarong Li ◽  
Hongxin Chai ◽  
Kai Zhang ◽  
Deli Yang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Single Crystal ◽  
Reaction Pathways ◽  
X Ray Diffraction ◽  
Pyrimidine Derivatives ◽  
One Pot ◽  
X Ray ◽  
One Pot Synthesis

An efficient one-pot synthesis of pyrazolo[3,4-d]pyrimidine derivatives by the four-component condensation of hydrazines, methylenemalononitriles, aldehydes and alcohols has been developed via two different reaction pathways. The structures of target products were characterized by IR spectroscopy, NMR (1H and 13C) spectroscopy and HRMS (ESI) spectrometry. The crystal structure of 4-ethoxy-6-(2-nitrophenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine was determined by single crystal X-ray diffraction.

One-Pot Synthesis of a Cyclic Pyrene Octamer from Two Bifunctionalized Pyrene Monomers

Synthesis ◽  
2020 ◽  
Vol 53 (02) ◽  
pp. 344-347
Author(s):  
Hiroko Yamada ◽  
Naoki Aratani ◽  
Peifeng Mei ◽  
Ryo Kurosaki ◽  
Akinobu Matsumoto
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
X Ray Diffraction ◽  
One Pot ◽  
X Ray ◽  
One Pot Synthesis ◽  
Cross Coupling Reaction

AbstractA 2,2′-tert-butyl-5,9-6′,8′-cyclooctameric pyrenylene ([8]CP) was synthesized by a one-pot Suzuki–Miyaura cross-coupling reaction from two kinds of bifunctionalized monomers, as a rare example of a cyclic octamer. The octameric molecular structure of [8]CP was revealed by single-crystal X-ray diffraction analysis.

scholarly journals Synthesis and Characterisation of Nickel(II) Diphenylalkenylphosphine Complexes

1999 ◽  
Vol 23 (7) ◽  
pp. 418-419
Author(s):  
Simon J. Coles ◽  
Paul Faulds ◽  
Michael B. Hursthouse ◽  
David G. Kelly ◽  
Georgia C. Ranger ◽  
...  
Keyword(s):  
Single Crystal ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray ◽  
Phosphine Complexes

Nickel(II) phosphine complexes are prepared with a series of diphenylalkenylphosphine ligands and characterised by single crystal X-ray diffraction and spectroscopic techniques.

scholarly journals Modeling of magneto-conductivity of bismuth selenide: a topological insulator

2021 ◽  
Vol 3 (4) ◽  
Author(s):  
Yogesh Kumar ◽  
Rabia Sultana ◽  
Prince Sharma ◽  
V. P. S. Awana
Keyword(s):  
Magnetic Field ◽  
Magnetic Fields ◽  
Single Crystal ◽  
Single Crystals ◽  
X Ray Diffraction ◽  
Field Range ◽  
X Ray ◽  
Bulk Carriers ◽  
Different Temperatures

AbstractWe report the magneto-conductivity analysis of Bi2Se3 single crystal at different temperatures in a magnetic field range of ± 14 T. The single crystals are grown by the self-flux method and characterized through X-ray diffraction, Scanning Electron Microscopy, and Raman Spectroscopy. The single crystals show magnetoresistance (MR%) of around 380% at a magnetic field of 14 T and a temperature of 5 K. The Hikami–Larkin–Nagaoka (HLN) equation has been used to fit the magneto-conductivity (MC) data. However, the HLN fitted curve deviates at higher magnetic fields above 1 T, suggesting that the role of surface-driven conductivity suppresses with an increasing magnetic field. This article proposes a speculative model comprising of surface-driven HLN and added quantum diffusive and bulk carriers-driven classical terms. The model successfully explains the MC of the Bi2Se3 single crystal at various temperatures (5–200 K) and applied magnetic fields (up to 14 T).

scholarly journals Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis

2016 ◽  
Vol 12 ◽  
pp. 1877-1883 ◽  
Author(s):  
Sambasivarao Kotha ◽  
Rama Gunta
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
Ring Closing Metathesis ◽  
X Ray ◽  
Synthetic Strategy ◽  
Norbornene Derivatives

Here, we report a simple synthetic strategy to the bridgehead vicinal diallylation of norbornene derivatives. These substrates are useful to generate propellanes via ring-closing metathesis. Single-crystal X-ray diffraction analysis of four compounds led to the realization of configurational correction of earlier reported molecules.

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