The electron donor-acceptor (EDA) interaction between 2,3-dicyano-1,4-naphthoquinone (DCNQ) and 3,4-dimethylaniline (3,4-DMA) is studied in chloroform, dichloromethane and 1:1 (v/v) mixture of chloroform and dichloromethane. The rate of formation of the product was measured as a function of time using UV-vis spectrophotometer. The formation constant (K) and molar extinction coefficient (ɛ) values for the formation of EDA complex were evaluated in the temperature range of 20-35°C. The pseudo-first-order rate constant (k1) and the second-order rate constant (k2) for the disappearance of EDA complex and for the formation of product were evaluated. The activation parameters (ΔH#, ΔS# and ΔG#) of the reaction were determined by temperature dependence of rate constants using the Arrhenius plots. The effect of relative permittivity of the medium on the reaction is discussed. The observed results indicate that formation of final product proceeds through initial formation of EDA complex as an intermediate. The product of the reaction was purified by column chromatography method and identified as 3-(N-3,4-dimethyl-phenylamino)-2-cyano-1,4-naphthoquinone by elemental analysis, IR and NMR spectroscopy. On the basis of kinetic, analytical and spectroscopic results, a plausible mechanism for the formation of EDA complex and its transformation into product is proposed.
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http://dx.doi.org/10.1016/j.saa.2010.11.013 | DOI Listing |
J Org Chem
January 2025
College of Material, Chemistry and Chemical Engineering, Key Laboratory of Organosilicon Chemistry and Material Technology, Ministry of Education, Hangzhou Normal University, Hangzhou 311121, China.
In the vanguard of sustainable chemistry, the pursuit of efficient pathways for the synthesis of alkyl bicyclo[1.1.1]pentane-heteroaryls has captured the attention of the scientific vanguard.
View Article and Find Full Text PDFJ Org Chem
January 2025
Jiangxi Province Key Laboratory of Functional Organic Polymers, East China University of Technology, Nanchang 330013, China.
This study proposes a green and efficient atom- and step-economical method for converting hazardous CS to dithiocarbamate derivatives under visible light irradiation and catalyst-free conditions. By the construction of novel C-S and C-N bonds, a series of β-dicarbonyl compounds and amines are incorporated into the products. Under light, CS and amine first form bis(dialkylaminethiocarbonyl)disulfides, which then react with KCO-activated β-dicarbonyl compounds to form electron donor-acceptor (EDA) complexes and subsequently generate the target products.
View Article and Find Full Text PDFSensors (Basel)
December 2024
Faculty of Information Science and Technology, Beijing University of Technology, Beijing 100124, China.
With the increasing complexity of urban roads and rising traffic flow, traffic safety has become a critical societal concern. Current research primarily addresses drivers' attention, reaction speed, and perceptual abilities, but comprehensive assessments of cognitive abilities in complex traffic environments are lacking. This study, grounded in cognitive science and neuropsychology, identifies and quantitatively evaluates ten cognitive components related to driving decision-making, execution, and psychological states by analyzing video footage of drivers' actions.
View Article and Find Full Text PDFCells
December 2024
Department of Herbal Pharmacology, College of Korean Medicine, Gachon University, 1342 Seongnamdae-ro, Sujeong-gu, Seongnam-si 13120, Republic of Korea.
The NLRP3 inflammasome, plays a critical role in the pathogenesis of rheumatoid arthritis (RA) by activating inflammatory cytokines such as IL1β and IL18. Targeting NLRP3 has emerged as a promising therapeutic strategy for RA. In this study, a multidisciplinary approach combining machine learning, quantitative structure-activity relationship (QSAR) modeling, structure-activity landscape index (SALI), docking, molecular dynamics (MD), and molecular mechanics Poisson-Boltzmann surface area MM/PBSA assays was employed to identify novel NLRP3 inhibitors.
View Article and Find Full Text PDFOrg Biomol Chem
January 2025
Advanced Catalysis and Green Manufacturing Collaborative Innovation Center, School of Petrochemical Engineering, Changzhou University, Changzhou 213164, China.
A visible-light-promoted azidation/arylation of unactivated alkenes with Togni-N has been achieved, leading to a series of azidated pyrrolo[1,2-]indoles under photocatalyst-free conditions. Notably, an EDA complex derived from the electron-rich indole derivatives and Togni-N served as the key intermediate in this reaction.
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