Month: November 2022

On May 15, 2021, Li, Mingxue; Mei, Qiong; Wei, Bo; An, Zexiu; Sun, Jianfei; Xie, Ju; He, Maoxia published an article.Formula: C8H10O The title of the article was Mechanism and kinetics of ClO·-mediated degradation of aromatic compounds in aqueous solution: DFT and QSAR studies. And the article contained the following:

The action of ClO· is more prominent than HO· and Cl· in the advanced oxidation degradation of some pollutants. However, studies on the pollutant degradation mechanism and kinetics by ClO· are limited. In this study, 43 different kind of aromatic compounds which are important anthropogenic and natural water pollutants were selected as models to investigate their ClO· oxidation mechanism and kinetics computationally. The results showed that radical adduct formation (RAF) rather than single electron transfer (SET) reaction was prominent in ClO·-initiated reactions of aromatic compounds In subsequent reactions of the ClO-adduct, the Cl end of the -OCl moiety shifted to the benzene ring, which was the key to hydroxylation and chlorination of aromatic compounds by ClO·. The calculated ClO· initiated reaction rate constants (k·ClO) of aromatic compounds were 102-1010 M-1 s-1. ClO· was highly reactive to phenolates, anilines and alkoxy/hydroxyl aromatic compounds Upon the deprotonation of phenol to phenolate, the k·ClO value increased by 4 orders of magnitude. The k·ClO values of alkoxybenzenes were higher for compounds with shorter alkyl side chains and more alkoxy substituents. The k·ClO increased for anilines with longer alkyl side chains. The k·ClO quant. structure-activity relationships (QSARs) models were developed to predict the reactivity of ClO· to complex aromatic compounds in aquatic systems. The experimental process involved the reaction of 2-Methylanisole(cas: 578-58-5).Formula: C8H10O

The Article related to density functional theory degradation chlorine oxide radical wastewater treatment, Waste Treatment and Disposal: Chemical Treatment Of Aqueous Wastes and other aspects.Formula: C8H10O

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On May 15, 2021, Li, Mingxue; Mei, Qiong; Wei, Bo; An, Zexiu; Sun, Jianfei; Xie, Ju; He, Maoxia published an article.Category: ethers-buliding-blocks The title of the article was Mechanism and kinetics of ClO·-mediated degradation of aromatic compounds in aqueous solution: DFT and QSAR studies. And the article contained the following:

The action of ClO· is more prominent than HO· and Cl· in the advanced oxidation degradation of some pollutants. However, studies on the pollutant degradation mechanism and kinetics by ClO· are limited. In this study, 43 different kind of aromatic compounds which are important anthropogenic and natural water pollutants were selected as models to investigate their ClO· oxidation mechanism and kinetics computationally. The results showed that radical adduct formation (RAF) rather than single electron transfer (SET) reaction was prominent in ClO·-initiated reactions of aromatic compounds In subsequent reactions of the ClO-adduct, the Cl end of the -OCl moiety shifted to the benzene ring, which was the key to hydroxylation and chlorination of aromatic compounds by ClO·. The calculated ClO· initiated reaction rate constants (k·ClO) of aromatic compounds were 102-1010 M-1 s-1. ClO· was highly reactive to phenolates, anilines and alkoxy/hydroxyl aromatic compounds Upon the deprotonation of phenol to phenolate, the k·ClO value increased by 4 orders of magnitude. The k·ClO values of alkoxybenzenes were higher for compounds with shorter alkyl side chains and more alkoxy substituents. The k·ClO increased for anilines with longer alkyl side chains. The k·ClO quant. structure-activity relationships (QSARs) models were developed to predict the reactivity of ClO· to complex aromatic compounds in aquatic systems. The experimental process involved the reaction of 1,4-Dimethoxybenzene(cas: 150-78-7).Category: ethers-buliding-blocks

The Article related to density functional theory degradation chlorine oxide radical wastewater treatment, Waste Treatment and Disposal: Chemical Treatment Of Aqueous Wastes and other aspects.Category: ethers-buliding-blocks

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On July 5, 2005, Kim, Hyun-Kyoung; Wang, Xiao-Shui; Fujita, Yukihiro; Sudo, Atsushi; Nishida, Haruo; Fujii, Masayuki; Endo, Takeshi published an article.Computed Properties of 929-37-3 The title of the article was Photomechanical switching behavior of semi-interpenetrating polymer network consisting of azobenzene-carrying crosslinked poly(vinyl ether) and polycarbonate. And the article contained the following:

A novel semi-interpenetrating polymer network (semi-IPN) with photomech. switching ability was developed by a cationic copolymerization of azobenzene-containing vinyl ethers in a matrix of a linear polycarbonate (PC). The semi-IPN film showed reversible deformation upon switching the UV irradiation on and off and responded with unprecedented rapidity. The photomech. effect is attributed to a reversible change between the highly aggregated and dissociated states of the azobenzene groups. The experimental process involved the reaction of 2-(2-(Vinyloxy)ethoxy)ethanol(cas: 929-37-3).Computed Properties of 929-37-3

The Article related to azobenzene polyvinyl ether polycarbonate semiinterpenetrating network photomech switching, Plastics Manufacture and Processing: Chemical Properties Of Resins and other aspects.Computed Properties of 929-37-3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On March 30, 2020, Zhang, Xiongfei; Zeng, Piaopiao; Zhang, Shuo; Chen, Zhiwei published an article.Related Products of 321-28-8 The title of the article was FeCl3-Mediated Friedel-Crafts Alkylation and Oxidative Annulations: Facile Synthesis of Benzofurans. And the article contained the following:

An efficient method for the facile synthesis of benzofurans through FeCl3-mediated intermol. tandem reaction of anisole with glyoxal monohydrates was reported. This process provided the privileged structures of benzofurans in moderate to good yields under mild conditions. This reaction has many advantages, such as readily available starting materials, high atom economy and good functional group tolerance. This is firstly reported that FeCl3, acting as both a Lewis acid and an oxidant, was used for the synthesis of benzofuran. The experimental process involved the reaction of 1-Fluoro-2-methoxybenzene(cas: 321-28-8).Related Products of 321-28-8

The Article related to benzofuran preparation iron catalyst, anisole glyoxal monohydrate friedel crafts alkylation oxidative annulation, Heterocyclic Compounds (One Hetero Atom): Areno- and Diarenofurans and other aspects.Related Products of 321-28-8

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On October 31, 2021, Phetcharawetch, Jongkonporn; Betterley, Nolan M.; Reutrakul, Vichai; Soorukram, Darunee; Leowanawat, Pawaret; Kuhakarn, Chutima published an article.Related Products of 157869-15-3 The title of the article was Synthesis of 3-((trifluoromethyl)thio)indoles via trifluoromethylthiolation of 2-alkynyl azidoarenes with AgSCF3. And the article contained the following:

Direct and effective trifluoromethylthiolation of 2-alkynyl azidoarenes 2-CCR-4-R1-5-R2C6H2N3 (R = n-Bu, Ph, thiophen-2-yl, 2H-1,3-benzodioxol-5-yl, etc.; R1 = H, Me, Cl, CF3, etc.; R2 = H, Cl) with silver(I) trifluoromethanethiolate (AgSCF3) has been developed for the construction of 3-((trifluoromethyl)thio)indoles I. The trifluoromethylthiolation protocol is compatible with a broad substrate scope, providing a variety of 3-((trifluoromethyl)thio)indoles in moderate to good yields within one step, open-air, and short reaction time. The experimental process involved the reaction of 2-((4-Methoxyphenyl)ethynyl)aniline(cas: 157869-15-3).Related Products of 157869-15-3

The Article related to trifluoromethylthio indole preparation, alkynyl azidoarene silver trifluoromethanethiolate trifluoromethylthiolation, Heterocyclic Compounds (One Hetero Atom): Areno- and Diarenofurans and other aspects.Related Products of 157869-15-3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On June 15, 2021, Ma, Chuan; Sanchez-Rodriguez, Daniel; Kamo, Tohru published an article.Application of 578-58-5 The title of the article was A comprehensive study on the oxidative pyrolysis of epoxy resin from fiber/epoxy composites: Product characteristics and kinetics. And the article contained the following:

Thermal treatment has been the most feasible process to recycle valuable carbon fibers and obtain fuel and chems. from waste fiber/epoxy composites. The present work studied the oxidative pyrolysis behaviors of epoxy resin from fiber/epoxy composites using a thermogravimetric apparatus and a fixed-bed reactor, resp. The effects of various O2 concentrations on the thermal behaviors of epoxy resin were investigated and the product characteristics were analyzed. Furthermore, a multi distributed activation energy model (multi-DAEM) was first developed to determine the oxidative pyrolysis kinetics of epoxy resin under various atmospheres. Results showed that the degradation behaviors of epoxy resin were largely altered by the O2 concentrations High O2 concentrations accelerated the primary decomposition of epoxy resin and shifted the oxidation of resin residue into lower temperatures High contents of methylcyclohexene and phenolic derivatives were detected in liquid products. In air atm., high yields of CO and CO2 were generated and distributed in several stages. The kinetic anal. indicated that the multi-DAEM method can well explain the oxidative pyrolysis behaviors of epoxy resin. A min. six-reaction fitting process can perfectly simulate the oxidative pyrolysis of epoxy resin. The predictions for various O2 concentrations were in good agreement with the exptl. tests. The experimental process involved the reaction of 2-Methylanisole(cas: 578-58-5).Application of 578-58-5

The Article related to epoxy resin oxidative thermal treatment pyrolysis simulation, epoxy resin, kinetics, oxidation, product characteristics, pyrolysis, Waste Treatment and Disposal: Chemical Treatment Of Aqueous Wastes and other aspects.Application of 578-58-5

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On September 5, 2022, Cha, Youngho; Kim, Tae-Kyoung; Lee, Jaewon; Kim, Taeyeon; Hong, Ae-Jung; Zoh, Kyung-Duk published an article.Computed Properties of 150-78-7 The title of the article was Degradation of iopromide during the UV-LED/chlorine reaction: Effect of wavelength, radical contribution, transformation products, and toxicity. And the article contained the following:

Three different UV-LED wavelengths (265, 310, and 365 nm) were used in the UV-LED/chlorine reaction to investigate the degradation mechanism of iopromide (IPM) at different wavelengths, a representative iodinated contrast media compound The degradation rate (k’IPM) increased from pH 6-8 at 265 nm, but, decreased as the pH increased up to 9 at 310 nm and 365 nm. Radical scavenging experiments showed that reactive chlorine species (RCS) are the dominant radical species at all wavelengths, but a higher contribution of OH· was observed at lower pH and longer wavelengths. The contribution of RCS decreased but the contribution of OH· increased as the wavelength increased. Among RCS, the largest contribution was found to be ClO·. Total nine transformation products (TPs) were identified by LC-QTOF-MS during the UV-LED/chlorine reaction at 265 nm. Based on the identified TPs and their time profiles, we proposed a degradation pathway of IPM during UV-LED/chlorine reaction. The Microtox test using V. fischeri showed that no significant increase in toxicity was observed at all wavelengths. The synergistic effect of UV-LED and chlorine was greater at a higher wavelength by the elec. efficiency per order (EEO) calculation The experimental process involved the reaction of 1,4-Dimethoxybenzene(cas: 150-78-7).Computed Properties of 150-78-7

The Article related to iopromide chlorine reaction radical scavenging experiment, hydroxyl radical, microtox test, reactive chlorine species (rcs), transformation products (tps), uv-led, Waste Treatment and Disposal: Chemical Treatment Of Aqueous Wastes and other aspects.Computed Properties of 150-78-7

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On December 19, 2009, Barry, Nicola; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R. published an article.Name: Benzyl(4-bromophenyl)sulfane The title of the article was Synthesis of aryl benzyl NH-sulfoximines. And the article contained the following:

Efficient synthesis and characterization of a series of aryl benzyl NH-sulfoximines are described. While N-protected versions of aryl benzyl sulfoximines have been previously described, reports of their deprotection are very limited, presumably due to lability under the typically harsh deprotection conditions which can be employed with the less reactive aryl alkyl derivatives Use of N-cyanosulfoximines as key intermediates overcomes these difficulties leading to an effective synthetic route to these compounds The experimental process involved the reaction of Benzyl(4-bromophenyl)sulfane(cas: 53136-21-3).Name: Benzyl(4-bromophenyl)sulfane

The Article related to aryl benzyl sulfoximine preparation, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Others and other aspects.Name: Benzyl(4-bromophenyl)sulfane

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

On November 30, 2020, Bolt, Ya. V.; Tsarkova, A. S.; Baleeva, N. S. published an article.Formula: C8H10O2 The title of the article was 6,7-Dialkoxy-Benzothiophene Derivatives as the Basis for Synthesis of Fluorescent Sensors for Reactive Oxygen Species. And the article contained the following:

Abstract: We suggest the use of the 6,7-dialkoxy-benzothiophene derivatives as the basis for synthesis of fluorescent sensors for reactive oxygen species. The corresponding dioxide, a potential product of oxidation, that might be generated during ROS detection, was synthesized. We have established that benzothiophene derivatives could be successfully used for synthesis of fluorescent sensors, due to the noticeable shift of the absorption and emission maxima that occurs during oxidation The experimental process involved the reaction of 1,2-Dimethoxybenzene(cas: 91-16-7).Formula: C8H10O2

The Article related to dialkoxybenzothiophene fluorescent sensor, Physical Organic Chemistry: Other Reactions, Processes, and Spectra and other aspects.Formula: C8H10O2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem