137444-51-0Relevant articles and documents
Stereoselective multicomponent synthesis of [3-(5-substituted 2-methoxyphenyl)-5-aryl-2-phenyltetrahydro-4-isoxazolyl](2-thienyl)methanones via 1,3-dipolar cycloaddition
Sridharan,Pon Saravanakumar,Muthusubramanian
, p. 515 - 518 (2005)
Three-component stereoselective synthesis of a set of new tetra substituted isoxazolidines from 5-substituted 2-methoxybenzaldehydes, N-phenylhydroxylamine and 1-(2-thienyl)-3-arylprop-2-en-1-ones has been achieved. The effect of microwave irradiation on the reaction under solvent-free conditions has also been investigated. The stereochemistry of the final products has been confirmed by NMR and single crystal X-ray analysis.
D-A-π-D Synthetic approach for thienyl chalcones - NLO - a structure activity study
Tejkiran,Brahma Teja,Sai Siva Kumar,Sankar, Pranitha,Philip, Reji,Naveen,Lokanath,Nageswara Rao
, p. 33 - 39 (2016)
With the growing interest for organic molecules in Nonlinear Optical (NLO) applications, we have synthesized nine novel thienyl chalcones based on the D-A-π-D design. In order to establish the identity, these have been characterized in detail. Having followed the design based synthetic route, we have focused on two prime criteria for comparison; namely second harmonic generation (SHG) and non-linear absorption. In this work the role of the electron withdrawing groups, electron donating groups and extended conjugation, have been extensively studied vis-à-vis the NLO properties. The change in these properties by virtue of the molecular structure has been elucidated in this work as the structure activity relationship. Optical nonlinearity is studied using ultrafast (100 fs) laser pulses at 800 nm, employing the open aperture Z-scan technique. The compounds exhibit large effective three-photon absorption (3PA) coefficients, in the order of 10-28 m3/W2. These observations show that these compounds possess potential for application in all-optical limiting and switching devices.
Synthesis, crystal structure, spectroscopic analysis and computational study of (Z)-1-(2,4-dinitrophenyl)-2-((E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl) allylidene) hydrazine by DFT and AIM approach
Singh, Ashok Kumar,Singh, Ravindra Kumar
, p. 191 - 205 (2015)
Abstract The title compound was synthesized and characterized by IR, 1H NMR, 13C NMR and single crystal X-ray diffraction studies. Quantum chemical calculations have been performed at DFT level of theory using B3LYP functional and 6-
From Celecoxib to a Novel Class of Phosphodiesterase 5 Inhibitors: Trisubstituted Pyrazolines as Novel Phosphodiesterase 5 Inhibitors with Extremely High Potency and Phosphodiesterase Isozyme Selectivity
Abdel-Halim, Mohammad,Sigler, Sara,Racheed, Nora A. S.,Hefnawy, Amr,Fathalla, Reem K.,Hammam, Mennatallah A.,Maher, Ahmed,Maxuitenko, Yulia,Keeton, Adam B.,Hartmann, Rolf W.,Engel, Matthias,Piazza, Gary A.,Abadi, Ashraf H.
supporting information, p. 4462 - 4477 (2021/05/04)
A ligand-based approach involving systematic modifications of a trisubstituted pyrazoline scaffold derived from the COX2 inhibitor, celecoxib, was used to develop novel PDE5 inhibitors. Novel pyrazolines were identified with potent PDE5 inhibitory activit
Ligand-Free Palladium-Catalyzed Carbonylative Suzuki Couplings of Vinyl Iodides with Arylboronic Acids under Substoichiometric Base Conditions
Yang, Zhiyuan,Gong, Pei-Xue,Chen, Junjie,Zhang, Jie,Gong, Xu,Han, Wei
supporting information, p. 1207 - 1212 (2021/06/18)
A ligand-free palladium-catalyzed carbonylation of vinyl iodides with arylboronic acids, permitting the synthesis of chalcones and α-branched enones, has been established. This reaction proceeds smoothly at ambient pressure and temperature, and works well even with a substoichiometric amount of base. Importantly, this mild, efficient, and operationally simple protocol is suitable for the late-stage functionalization of an epiandrosterone-derived complex molecule.
in silico design, ADME prediction, molecular docking, synthesis of novel triazoles, indazoles & aminopyridines and in vitro evaluation of antitubercular activity
Triveni,Naresh Babu,Bhargav,Vijaya Jyothi
, p. 2713 - 2721 (2020/11/23)
To design and synthesize novel triazoles, indazoles and aminopyridines from various (thiophene-2-yl)prop-2-en-1-one derivatives as antitubercular leads by in silico and in vitro methods. in silco Drug design, ADME prediction and molecular docking studies
Studies of NMR Chemical Shifts of Chalcone Derivatives of Five-membered Monoheterocycles and Determination of Aromaticity Indices
Jeong, Eun Jeong,Lee, In-Sook Han
, p. 668 - 673 (2019/07/12)
A series of the chalcone derivatives of the five-membered monoheterocyclic compounds, (E)-1-aryl-3-heteroarylpropen-1-ones, were prepared by aldol condensation of the corresponding aldehydes of thiophene, pyrrole, and furan with m- and p-substituted acetophenones. Similar condensation of the acetyl compounds of the heterocycles with m- and p-substituted benzaldehydes gave another series of the chalcone derivatives, (E)-1-heteroaryl-3-arylpropen-1-ones. The 13C chemical shift values (δC) of the chalcone derivatives were determined in order to find if they correlated with the Hammett σ values. A good correlation, especially for the β-C for both series, was found for the 13C chemical shift values (δC) of the chalcone derivatives with the Hammett σ values. The chemical shift values of the β-C of the heterocyclic compounds were plotted against those of the benzene derivatives. The resulting slopes were found to be close to the values of the aromaticity indices.
Green synthesis of chalcones and microbiological evaluation
Ritter, Marina,Martins, Rosiane M.,Rosa, Silvana A.,Malavolta, Juliana L.,Lund, Rafael G.,Flores, Alex F. C.,Pereira, Claudio M.P.
, p. 1201 - 1210 (2015/06/16)
A green method was developed for the synthesis of chalcones using glycerin as solvent. Subsequently, the potential microbiology activity of these molecules was evaluated by testing them against the Gram-positive bacteria Staphylococcus aureus (S. aureus) ATCC 19095 and Enterococcus faecalis (E. faecalis) ATCC 4083, the Gram-negative bacteria Escherichia coli (E. coli) ATCC 29214 and Pseudomonas aeruginosa (P. aeruginosa) ATCC 9027, and the fungus Candida albicans (C. albicans), which includes ATCC 62342 and three clinical strains of C. albicans from human oral cavities. The results showed that some chalcones exhibited moderate inhibitory activity, the most prominent being those acting against the fluconazole-resistant strains of C. albicans.
ACETYL-COA CARBOXYLASE MODULATORS
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Paragraph 00169-00170; 00187-00192, (2015/01/09)
Provided herein are compounds that exhibit activity as acetyl-CoA carboxylase modulators (e.g., inhibitors) and are useful, for example, in methods for the control of fungal pathogens in plants.
Design and synthesis of spiro derivatives containing a thiophene ring and evaluation of their anti-microbial activity
Kanagaraju, Geethanjali,Thangamani, Arumugam
, p. 1619 - 1630 (2015/04/22)
Synthesis of a series of novel spiro pyrrolidines has been accomplished by 1, 3-dipolar cycloaddition reaction of azomethine ylide generated from phenylalanine and isatin with dipolarophiles in good yield. The reaction proceeded with high regio and stereoselectivity. The products have been characterized by elemental analyses and spectroscopic techniques, namely IR, 1H NMR and 13C NMR spectroscopies. Single crystal analysis of compounds 4k 2D-NMR analysis of compound 4k confirmed the structures of spiropyrrolidine derivatives. These compounds were evaluated for their antimicrobial activity. Most of the synthetic compounds exhibited good activity against microorganisms.
