79255-35-9Relevant academic research and scientific papers
Crystal, spectral characterization, molecular docking, Hirshfeld computational studies and 3D-energy framework analysis of a novel puckered compound (C14H15Cl O): 2-Chloro-3-phenyl-5,5-dimethylcyclohex-2-en-1-one
Ganesha, D. P.,Hariprasad, S.,Jeevan Chakravarthy, A. S.,Lakshminarayana, B. N.,Sreenatha, N. R.,Suchithra, B.
, (2020/03/13)
A novel compound, 2-chloro-3-phenyl-5,5-dimethylcyclohex-2-en-1-one, was synthesized and characterized by FT-IR, GC-Mass spectroscopy and NMR techniques. The single crystal XRD data of the compound, obtained by slow evaporation technique, revealed that the compound crystallized in a monoclinic lattice system, with the space group P21/n . Its asymmetric unit comprises of two molecules A and B, both adopting a non-planar structure. The Cg1A and Cg1B rings are puckered and adopt nearly envelope E1 and E1 conformations in A and B, respectively. The anionic and cationic entities in the crystal are interconnected by very weak intermolecular C–H?O interactions. The three dimensional Hirshfeld surfaces and associated two dimensional fingerprint plots have been performed to gain insight into these interactions. The interaction energies play a major role in the supramolecular architecture of molecular units in a crystal. These were calculated and analyzed using the energy density wave function of B3LYP/6-31G(d,p), which revealed the domination of dispersion energies over classical electrostatic energy frameworks. In addition, molecular docking studies were performed over several proteins out of which good binding results were observed for secreted aspartic protease from Candida albicans and nicotinic acetyl choline receptor.
Preparation method of α,β- or β,β-dihaloenones from diazodicarbonyls
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Paragraph 0029; 0031-0033; 0040-0041, (2017/08/30)
The present invention relates to a method for preparing andalpha;,andbeta;- or andbeta;,andbeta;-dihaloenone compounds from diazodicarbonyl compounds. According to the present invention, a diazo compound reacts with an oxalyl halide in the presence of a ruthenium catalyst so andalpha;,andbeta;- and andbeta;,andbeta;-dihaloenones can be synthesized through one-step reaction in an easy, simple and environmental manner. The synthesized andalpha;,andbeta;- and andbeta;,andbeta;-dihaloenones can be widely used for synthesis of intermediates of various drugs, natural materials, agricultural pesticides, dyes, etc. due to various biological activities.COPYRIGHT KIPO 2017
AuFeAg hybrid nanoparticles as an efficient recyclable catalyst for the synthesis of α,β- and β,β-dichloroenones
Mishra, Kanchan,Basavegowda, Nagaraj,Lee, Yong Rok
, p. 180 - 187 (2015/09/29)
A facile and green pioneer approach for the synthesis of stable trimetallic AuFeAg hybrid nanoparticles is described. This synthetic method is green-chemistry compatible and totally free of additives. The particle shape and size, surface chemistry, crystallinity, elemental composition, thermal and magnetic properties were investigated. The catalytic performance of the synthesized nanoparticles is also described. The hybrid nanocatalyst exhibited strong catalytic activity for the synthesis of α,β- and β,β-dichloroenones, which are important synthetic intermediates in the preparation of natural products. The reason behind the catalytic performance of nano sized hybrid particles was attributed to their high specific surface area. In addition, the nanocatalyst was easy to separate from the reaction mixture using an external magnet and could be reused for five consecutive reactions without any significant loss of activity. Using the present method, the trimetallic hybrid combination can be designed for similar types of catalytic reactions.
Ruthenium(II)-catalyzed protocol for preparation of diverse α,β- and β,β-Dihaloenones from diazodicarbonyls
Magar, Krishna Bahadur Somai,Lee, Yong Rok
, p. 3422 - 3432 (2015/02/02)
Efficient one-step syntheses of α,β- and β,β-dihaloenones were achieved by ruthenium(II)- catalyzed reactions between cyclic or acyclic diazodicarbonyl compounds and oxalyl chloride or oxalyl bromide in moderate to good yields. This methodology offers sev
Reactions of Dimedone with Sulfur Chlorides
Still, Ian W. J.,Kutney, Gerald W.
, p. 4911 - 4914 (2007/10/02)
A comparative study of the reactions of dimedone (1), as a representative β-diketone, with various simple sulfur chlorides has revealed that the product distribution observed can best be accounted for in terms of competing mechanisms of oxygen attack or carbon attack (at C-2) in the enol form.Oxygen attack is particularly important with SCl2 and S2Cl2 and appears to involve a subsequent intramolecular transfer of Cl (or ClS) to C-2, via an intermediate such as 12.The relative electrophilicity of the reagents and the facility with which 12 can be expected to rearrange to a C-2 substituted product appear to be among the factors influencing the course of these reactions.Some of the reactions show promise as synthetic routes to potentially useful dimedone derivatives.
