Month: November 2022

Adamek, Jakub published the artcileGeneration and Reactivity of 1-Imidocarbenium Cations in the Friedel-Crafts-type Reaction, COA of Formula: C8H10O2, the main research area is generation reactivity Imidocarbenium cation Friedel Crafts reaction.

Herein, we discuss the formation and reactivity of 1-imidocarbenium cations in Friedel-Crafts-type reaction between 1-imidoalkylphosphonium salts and arenes. The observed weakening of Cα-P+ bond is described qual. and quant. The determination of rate constants and activation energies of Cα-P+ bond cleavage enabled systematic reactivity investigations of a series of phosphonium salts with different structures. Finally, the application scope for the imidoalkylation of aromatic hydrocarbons was explored. The results confirm that the generated 1-imidocarbenium cations are reactive enough to alkylate strongly activated, less-activated, or even inactivated aromatic compounds

ACS Omega published new progress about Activation energy. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, COA of Formula: C8H10O2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Fan, Chunyang published the artcileIncorporating self-anchored phosphotungstic acid@triazole-functionalized covalent organic framework into sulfonated poly(ether ether ketone) for enhanced proton conductivity, Quality Control of 1455-77-2, the main research area is triazole functionalized covalent organic framework phosphotungstic acid proton conductivity.

The design of new types of proton-conductive materials with high proton conductivity has sparked tremendous interest. Covalent organic framework (COF), a new category of porous crystalline materials possessing well-defined porosity and tunable functionality, holds great potential as next-generation proton conductors. Here, triazole COF loaded with phosphotungstic acid (HPW@COF) has been incorporated into sulfonated poly(ether ether ketone) (SPEEK) matrix to fabricate SPEEK/HPW@COF composite membranes. The one-dimensional channels of COF lined with protonated triazole (triazolium cations) by hydroscopic HPW and neutral triazole as well as counter anions (PO40W3-12) could act as proton-donors and -acceptors forming interconnected hydrogen-bonding networks, thus greatly facilitating proton conduction via Grotthuss-type mechanism particularly under low RH. Accordingly, SPEEK/HPW@COF displayed 35.5 times higher proton conductivity than the plain SPEEK at 65°C, 40% RH. Moreover, the proton conductivity of SPEEK/HPW@COF remained constant during soaking in water for 15 days, indicating the excellent immobilization of HPW due to the electrostatic interaction between basic nitrogen sites and HPW as well as the confinement effect of microporous COF channels. These results demonstrated that N-heterocycles functionalized COFs gave great promise as effective hosts to encapsulate proton carriers.

Solid State Ionics published new progress about Activation energy. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Quality Control of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Fan, Chunyang published the artcileIncorporating self-anchored phosphotungstic acid@triazole-functionalized covalent organic framework into sulfonated poly(ether ether ketone) for enhanced proton conductivity, HPLC of Formula: 1455-77-2, the main research area is triazole functionalized covalent organic framework phosphotungstic acid proton conductivity.

The design of new types of proton-conductive materials with high proton conductivity has sparked tremendous interest. Covalent organic framework (COF), a new category of porous crystalline materials possessing well-defined porosity and tunable functionality, holds great potential as next-generation proton conductors. Here, triazole COF loaded with phosphotungstic acid (HPW@COF) has been incorporated into sulfonated poly(ether ether ketone) (SPEEK) matrix to fabricate SPEEK/HPW@COF composite membranes. The one-dimensional channels of COF lined with protonated triazole (triazolium cations) by hydroscopic HPW and neutral triazole as well as counter anions (PO40W3-12) could act as proton-donors and -acceptors forming interconnected hydrogen-bonding networks, thus greatly facilitating proton conduction via Grotthuss-type mechanism particularly under low RH. Accordingly, SPEEK/HPW@COF displayed 35.5 times higher proton conductivity than the plain SPEEK at 65°C, 40% RH. Moreover, the proton conductivity of SPEEK/HPW@COF remained constant during soaking in water for 15 days, indicating the excellent immobilization of HPW due to the electrostatic interaction between basic nitrogen sites and HPW as well as the confinement effect of microporous COF channels. These results demonstrated that N-heterocycles functionalized COFs gave great promise as effective hosts to encapsulate proton carriers.

Solid State Ionics published new progress about Activation energy. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, HPLC of Formula: 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Yang, Jingxin published the artcileUnexpected degradation and deiodination of diatrizoate by the Cu(II)/S(IV) system under anaerobic conditions, Formula: C11H9I3N2O4, the main research area is diatrizoate degradation deiodination copper sulfite system anaerobic condition; Anaerobic degradation; Cu(I); copper; deiodination; diatrizoate; sulfite.

Transition metal catalyzed sulfite auto-oxidation is a promising technol. used in water and wastewater treatment for the elimination of contaminants. In the literature, this process has been reported to be efficient only in the presence of oxygen. However, in this study, we unexpectedly found that the degradation of diatrizoate (DTZ) by a system based on the combination of copper ion and sulfite (Cu(II)/S(IV)) reached over 95% under anaerobic conditions, but was considerably retarded under aerobic conditions at pH 7. Furthermore, it was found that Cu(I), generated from the cleavage of the CuSO3 complex, was the main reactive species responsible for the degradation of DTZ by the Cu(II)/S(IV) system under anaerobic conditions. In fact, the absence of oxygen promoted the accumulation of Cu(I). The concomitant release of the iodide ion with the degradation of DTZ indicated that the anaerobic degradation of DTZ by the Cu(II)/S(IV) system mainly proceeded through the deiodination pathway, which was also confirmed by the detection of deiodinated products. The anaerobic degradation of DTZ was favored at higher initial concentrations of Cu(II) or sulfite in this system. Since the CuSO3 complex, the precursor of Cu(I), was formed mainly at pH 7, the highest anaerobic degradation of DTZ was achieved at pH 7. An increase in reaction temperature considerably enhanced the degradation of DTZ by the Cu(II)/S(IV) system with an apparent activation energy of 119.4 kJ/mol. The presence of chloride, bicarbonate and humic acid slightly influenced the anaerobic degradation of DTZ. The experiments with real water samples also demonstrated the effectiveness of the degradation of DTZ by the Cu(II)/S(IV) system under anaerobic conditions.

Water Research published new progress about Activation energy. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Formula: C11H9I3N2O4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Niu, Hao-Xin published the artcileA Furan-based Phosphaphenanthrene-containing Derivative as a Highly Efficient Flame-retardant Agent for Epoxy Thermosets without Deteriorating Thermomechanical Performances, Synthetic Route of 1455-77-2, the main research area is furan phosphaphenanthrene flame retardant agent epoxy thermoset; mech thermal property.

In order to reduce greenhouse gas emissions, developing flame retardants from bio-based resources has aroused extensive interest in recent years. In this work, we utilized furfural (biomass) and 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO) to synthesize a bio-based co-curing agent (FGD) to combine with 4,4′-diaminodiphenyl methane (DDM) for obtaining a low-phosphorus loading flame-retardant epoxy thermosets. The introduction of FGD decreased the activation energy of the curing progress, enhanced the mech. properties of the epoxy thermosets, and did not affect the glass transition temperature of the epoxy thermosets. EP-5.0 had a lower thermal degradation rate and a doubled char yield compared with EP-0. The phosphorus content of EP-5.0 was only 0.45 wt%, while EP-5.0 reached the UL-94 V-0 rating with a high LOI value of 32%. Compared with EP-0, the PHRR of EP-2.5 and EP-5.0 decreased by 22.3% and 31.3%, resp. The SEM results showed that the addition of FGD made the char residues more uniform and denser, which could effectively prevent combustible volatiles from escaping from the degradation area to the flame area and isolate the heat transfer so that the epoxy thermosets had an excellent flame-retardant performance.

Chinese Journal of Polymer Science published new progress about Activation energy. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Synthetic Route of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Niu, Hao-Xin published the artcileA Furan-based Phosphaphenanthrene-containing Derivative as a Highly Efficient Flame-retardant Agent for Epoxy Thermosets without Deteriorating Thermomechanical Performances, SDS of cas: 1455-77-2, the main research area is furan phosphaphenanthrene flame retardant agent epoxy thermoset; mech thermal property.

In order to reduce greenhouse gas emissions, developing flame retardants from bio-based resources has aroused extensive interest in recent years. In this work, we utilized furfural (biomass) and 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO) to synthesize a bio-based co-curing agent (FGD) to combine with 4,4′-diaminodiphenyl methane (DDM) for obtaining a low-phosphorus loading flame-retardant epoxy thermosets. The introduction of FGD decreased the activation energy of the curing progress, enhanced the mech. properties of the epoxy thermosets, and did not affect the glass transition temperature of the epoxy thermosets. EP-5.0 had a lower thermal degradation rate and a doubled char yield compared with EP-0. The phosphorus content of EP-5.0 was only 0.45 wt%, while EP-5.0 reached the UL-94 V-0 rating with a high LOI value of 32%. Compared with EP-0, the PHRR of EP-2.5 and EP-5.0 decreased by 22.3% and 31.3%, resp. The SEM results showed that the addition of FGD made the char residues more uniform and denser, which could effectively prevent combustible volatiles from escaping from the degradation area to the flame area and isolate the heat transfer so that the epoxy thermosets had an excellent flame-retardant performance.

Chinese Journal of Polymer Science published new progress about Activation energy. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, SDS of cas: 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Pratali Maffei, Luna published the artcileElectronic structure-based rate rules for H ipso addition-elimination reactions on mono-aromatic hydrocarbons with single and double OH/CH3/OCH3/CHO/C2H5 substituents: a systematic theoretical investigation, COA of Formula: C8H10O2, the main research area is phenol toluene substitution reaction kinetics activation energy.

The recent interest in bio-oils combustion and the key role of mono-aromatic hydrocarbons (MAHs) in existing kinetic frameworks, both in terms of poly-aromatic hydrocarbons growth and surrogate fuels formulation, motivates the current systematic theor. investigation of one of the relevant reaction classes in MAHs pyrolysis and oxidation: ipso substitution by hydrogen. State-of-the-art theor. methods and protocols implemented in automatized computational routines allowed to investigate 14 different potential energy surfaces involving MAHs with hydroxy and Me single (phenol and toluene) and double (o-,m-,p-C6H4(OH)2, o-,m-,p-CH3C6H4OH, and o-,m-,p-C6H4(CH3)2) substituents, providing rate constants for direct implementation in existing kinetic models. The accuracy of the adopted theor. method was validated by comparison of the computed rate constants with the available literature data. Systematic trends in energy barriers, pre-exponential factors, and temperature dependence of the Arrhenius parameters were found, encouraging the formulation of rate rules for H ipso substitutions on MAHs. The rules here proposed allow to extrapolate from a reference system the necessary activation energy and pre-exponential factor corrections for a large number of reactions from a limited set of electronic structure calculations We were able to estimate rate constants for other 63 H ipso addn-elimination reactions on di-substituted MAHs, reporting in total 75 rate constants for H ipso substitution reactions o-,m-,p-R’C6H4R + H â†?C6H5R + R’, with R,R’ = OH/CH3/OCH3/CHO/C2H5, in the 300-2000 K range. Addnl. calculations performed for validation showed that the proposed rate rules are in excellent agreement with the rate constants calculated using the full computational protocol in the 500-2000 K range, generally with errors below 20%, increasing up to 40% in a few cases. The main results of this work are the successful application of automatized electronic structure calculations for the derivation of accurate rate constants for H ipso substitution reactions on MAHs, and an efficient and innovative approach for rate rules formulation for this reaction class.

Physical Chemistry Chemical Physics published new progress about Activation energy. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, COA of Formula: C8H10O2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Gracious, Shabalala Nhlanhla published the artcileFacile one-pot green synthesis of 2-amino-4H-benzo[g]chromenes in aqueous ethanol under ultrasound irradiation, Related Products of isoquinoline, the main research area is aminobenzochromene preparation green ammonium acetate catalyst ultrasound irradiation; hydroxynaphthalenedione aldehyde three component condensation.

An efficient green one-pot approach for the synthesis of eighteen novel dihydro-4H-benzo[g]chromene derivatives under ultrasound irradiation conditions. The three-component condensation reaction proceeded through Knoevenagel-Michael reaction of chosen active methylene compounds and 2-hydroxynaphthalene-1,4-dione with different substituted aldehydes in the presence of ammonium acetate in water and ethanol mixture at room temperature, which furnished high yields of products (91-98%) in a rapid reaction time of 5-15 min. This procedure offers 95% of the atom economy and 100% of carbon efficiency together with other eco-friendly benefits.

Synthetic Communications published new progress about Acoustic emission. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, Related Products of isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Anquandah, George published the artcileOxidation of X-ray compound diatrizoic acid by ferrate(VI), Product Details of C11H9I3N2O4, the main research area is oxidation Xray compound diatrizoate ferrate.

Iodinated x-ray contrast media (ICM) such as diatrizoic acid (DTZA) is used in large amounts in hospitals to enhance imaging of organs and blood vessels during radiog. Due to its persistence and non-biodegradability, it is found in treated water, sewage effluent, surface waters, and aquatic environments. This paper presents the kinetics of the oxidation of DTZA by ferrate(VI) (FeVIO42-, Fe(VI)) as a function of pH (7.1-9.6) at 25° in order to determine the effectiveness of Fe(VI) to remove DTZA from water. The reaction was 1st-order with respect to concentrations of Fe(VI) and DTZA. The rate of the reaction was pH-dependent and the rate decreased nonlinearly as the pH increased from 7.1 to 9.6. The speciation of Fe(VI) (HFeO4- and FeO42-) was used to explain the rate dependence on pH. The calculated rate constant of Fe(VI) with DTZA at pH 7.0 was compared with N-containing pollutants and is discussed.

Environmental Technology published new progress about Oxidation kinetics. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Product Details of C11H9I3N2O4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Bukhtiyarova, M. V. published the artcileN-Methylation of p-Anisidine on the Catalysts Based on Cu-Containing Layered Double Hydroxides, Product Details of C8H11NO, the main research area is anisidine methylation copper layered double hydroxide catalyst.

Cu-containing layered double hydroxides with different Cu : Al ratios are synthesized by co-precipitation using a mixture of hydroxide and sodium carbonate as a precipitation agent. The influence of the precipitation agent concentration on the formation of the hydrotalcite phase was studied by thermal anal. and X-ray diffraction. The surface of the obtained samples after calcination at 450°C and their subsequent reduction at 300°C in hydrogen, was characterized by XPS and transmission electron microscopy. The synthesized catalysts were tested in the reaction of N-methylation of p-anisidine with methanol in an autoclave reactor to produce N-methyl-p-anisidine. The influence of the Cu : Al ratio in them on the catalytic activity and selectivity was studied.

Kinetics and Catalysis published new progress about Lattice parameters. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Product Details of C8H11NO.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem