New push–pull polyene chromophores containing a Michler's base donor and a tricyanofuran acceptor: multicomponent condensation, allopolar isomerism and large optical nonlinearity

2017 ◽  
Vol 5 (9) ◽  
pp. 2230-2234 ◽  
Author(s):  
Jingdong Luo ◽  
Francis Lin ◽  
Zhong'an Li ◽  
Ming Li ◽  
Tae-Dong Kim ◽  
...  
Keyword(s):  
Optical Nonlinearity ◽  
One Pot ◽  
Multicomponent Condensation ◽  
Three Component Reaction ◽  
Active Methylene Compounds ◽  
Active Methylene

The high chemo-selectivity of bis-aldehydes for condensation with both basic and acidic active methylene compounds facilitates a one-pot, three-component reaction to produce dipolar polyenes as major products for electro-optics.

scholarly journals Novel Pyran-Linked Phthalazinone-Pyrazole Hybrids: Synthesis, Cytotoxicity Evaluation, Molecular Modeling, and Descriptor Studies

2021 ◽  
Vol 9 ◽  
Author(s):  
M. Shaheer Malik ◽  
Basim H. Asghar ◽  
Riyaz Syed ◽  
Reem I. Alsantali ◽  
Moataz Morad ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
3D Qsar ◽  
Shape Index ◽  
One Pot ◽  
Efficient Catalyst ◽  
Qsar Studies ◽  
Three Component Reaction ◽  
Active Methylene Compounds ◽  
Molecular Modeling Studies ◽  
Active Methylene

A series of novel pyran-linked phthalazinone-pyrazole hybrids were designed and synthesized by a facile one-pot three-component reaction employing substituted phthalazinone, 1H-pyrazole-5-carbaldehyde, and active methylene compounds. Optimization studies led to the identification of L-proline and ethanol as efficient catalyst and solvent, respectively. This was followed by evaluation of anticancer activity against solid tumor cell lines of lung and cervical carcinoma that displayed IC50 values in the range of 9.8–41.6 µM. Molecular modeling studies were performed, and crucial interactions with the target protein were identified. The drug likeliness nature of the compounds and molecular descriptors such as molecular flexibility, complexity, and shape index were also calculated to understand the potential of the synthesized molecules to act as lead-like molecule upon further detailed biological investigations as well as 3D-QSAR studies.

scholarly journals A Facile and Catalyst-Free Microwave-Promoted Multicomponent Reaction for the Synthesis of Functionalised 1,4-Dihydropyridines With Superb Selectivity and Yields

2021 ◽  
Vol 9 ◽  
Author(s):  
Nagaraju Kerru ◽  
Suresh Maddila ◽  
Sreekantha B. Jonnalagadda
Keyword(s):  
Spectroscopic Analysis ◽  
High Selectivity ◽  
Water Medium ◽  
One Pot ◽  
Green Protocol ◽  
Catalyst Free ◽  
Active Methylene Compounds ◽  
The One ◽  
Pyrimidine Analogs ◽  
Active Methylene

We report a highly efficient green protocol for developing a novel library of 1,2,4-triazole-tagged 1,4-dihydropyridine analogs through the one-pot process from the four-component fusion of the 1H-1,2,4-triazol-3-amine with different chosen aldehydes, diethyl acetylenedicarboxylate, and active methylene compounds in a water medium under microwave irradiation and catalyst-free conditions. Excellent yields (94–97%) of the target products were achieved with high selectivity with a short reaction time (<12 min) at room temperature. The structures of the synthesized pyrimidine analogs were established by NMR and HRMS spectroscopic analysis. Simple workup, impressive yields, no column chromatography, green solvent, rapid reaction, and excellent functional group tolerance are the benefits of this protocol.

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