Day: December 1, 2022

Ma, Qing published the artcileEnergetic Cocrystal, Ionic Salt, and Coordination Polymer of a Perchlorate Free High Energy Density Oxidizer: Influence of pKa Modulation on Their Formation, Product Details of C2H5N5, the main research area is energetic cocrystal ionic salt coordination polymer high energy density.

Cocrystal, ionic salt, and coordination polymer had prompted the development of propellants, explosives, and pyrotechnics. However, the difference between their formation based on the same coformer has rarely been studied. 5,5′-Bis(trinitromethyl)-3,3′-bi-1H-1,2,4-triazole (BTNMBT) is perchlorate-free, favorable to scale-up, and a green energetic oxidizer with high phys. performance (oxygen balance: +18.4%, IS: 22.5 J, FS: 252 N, D: 9073 m s-1, P: 36.2 GPa). To investigate the influence of different coformers on the formation of BTNMBT’s cocrystal, ionic salt, and metal-organic framework, organic acid as well as organic and inorganic bases with different dissociation constants (pKa) were theor. studied. In this work, two energetic cocrystals, energetic ionic salt, and energetic metal-organic framework were synthesized based on BTNMBT. For their formation, the basic principle is found as follows: (i) when the pKa value of organic base is far lower than both pKa values of hydrogen-protons in organic acid, the reaction systems are prone to forming cocrystals; (ii) if the pKa value of the selected organic base is higher than that of one of the hydrogen-protons in organic acid but lower than that of the other one, a 1:1 energetic ionic salt appears; (iii) the 1:2 type of energetic ionic salt (or coordination polymer) can form when the pKa value of corresponding base is higher than values of both hydrogen-protons in organic acid. Among these shapes of derivatives, the coordination polymer form of BTNMBT not only exhibits good detonation performance (D: 8872 m s-1), but also shows pos. oxygen balance (+18.2%) and high thermal stability (Td: 180 °C) comparable to those of AP and superior to those of ADN. These discoveries can assist the design and preparation of other promising energetic materials toward future high-performing energy applications.

Crystal Growth & Design published new progress about Acidity (pKa). 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Product Details of C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Senaweera, Sameera published the artcileDecarboxylative Acetoxylation of Aliphatic Carboxylic Acids, Synthetic Route of 104-01-8, the main research area is photocatalytic decarboxylative acetoxylation aliphatic carboxylic acid copper acetate.

Organic mols. bearing acetoxy moieties are important functionalities in natural products, drugs, and agricultural chems. Synthesis of such mols. via transition metal-catalyzed C-O bond formation can be achieved in the presence of a carefully chosen directing group to alleviate the challenges associated with regioselectivity. An alternative approach is to use ubiquitous carboxylic acids as starting materials and perform a decarboxylative coupling. Herein, we report conditions for a photocatalytic decarboxylative C-O bond formation reaction that provides rapid and facile access to the corresponding acetoxylated products. Mechanistic investigations suggest that the reaction operates via oxidation of the carboxylate followed by rapid decarboxylation and oxidation by Cu(OAc)2.

Journal of Organic Chemistry published new progress about Acetoxylation. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Synthetic Route of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Alhaffar, Mouheddin published the artcileUltranox 626 as a selective ligand in rhodium-catalyzed hydroformylation-acetalization of allylbenzene derivatives, Name: 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde, the main research area is Ultranox 626 selective ligand rhodium catalyst hydroformylation acetalization allylbenzene.

Ultranox 626 as a diphosphite ligand showed high selectivity and good yields when used with Rh(CO)2(acac) as a catalyst precursor in the hydroformylation of allylbenzene derivatives producing aldehydes, and also in the one-pot hydroformylation-acetalization forming acetals. These reactions proceed smoothly and effectively to produce the linear aldehydes or acetals with high selectivity. The recycling of the rhodium catalyst was carried out after the careful screening and optimization of the reaction conditions in order to maximize the conversion and the selectivity of the reactions.

Reaction Kinetics, Mechanisms and Catalysis published new progress about Acetalization. 1205-17-0 belongs to class isoquinoline, name is 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde, and the molecular formula is C11H12O3, Name: 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Altmann, Johannes published the artcileIntegrating organic micropollutant removal into tertiary filtration: Combining PAC adsorption with advanced phosphorus removal, Related Products of isoquinoline, the main research area is powd activated carbon adsorption phosphorus removal organic micropollutant filtration; Adsorption; Deep-bed filtration; Organic micropollutants; Powdered activated carbon (PAC); Wastewater treatment.

Direct addition of powd. activated carbon (PAC) to a deep-bed filter was investigated at pilot-scale as a single advanced treatment stage for simultaneous removal of organic micropollutants (OMPs) and phosphorus from secondary effluent. PAC doses of 10-50 mg/L were assessed with regard to their impacts on filter performance and removal of 15 selected OMPs over a period of 18 mo. The PAC was effectively retained by the filter and had no neg. effect on filter head loss. Filter runtime until particle breakthrough depended mainly on coagulant dose and did not decrease significantly due to the addnl. PAC load. Removal of suspended solids and phosphorus by coagulation was effective independent of the PAC dose. A PAC dose of 35 mg/L PAC was suitable to remove well-adsorbing OMPs (e.g. carbamazepine, diclofenac) by >80% and medium adsorbing OMPs (e.g. primidone, sulfamethoxazole) by 50-80%. Median removals were 50-80% for well-adsorbing and 30-50% for medium adsorbing OMPs with 20 mg/L PAC. Abatement of all OMPs was low (<50%) with 10 mg/L PAC, possibly because of the high effluent organic matter content (median dissolved organic carbon (DOC) concentrations of 11.2 mg/L). In addition to adsorptive removal, relevant concentration decreases of certain OMPs (e.g. 4-formylaminoantipyrine) were attributed to biol. transformation in the filter. Adsorption onto accumulating PAC in the top layer of the filter bed led to improved OMP adsorption with increasing filter runtime. The comparison of OMP removal in the pilot filter with laboratory adsorption tests demonstrates that batch test results can be applied to estimate adsorptive OMP removal in real applications. Water Research published new progress about Organic matter. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Related Products of isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Cormick, Justin published the artcileThe synthesis of MDA from helional and characterisation by isotope ratio mass spectrometry, Application of 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde, the main research area is synthesis MDA isotope ratio mass spectrometry.

Presented here is an investigation into the stable isotopic ratios of 3,4-methylenedioxyamphetamine (MDA) prepared from the alternative precursor helional. Two methods for the synthesis of MDA were investigated, both utilizing hydroxylamine as the nitrogen source. Recent publications found both helional and hydroxylamine with isotopic compositions significantly different to traditional precursors and nitrogen sources. While minimal fractionation was observed in carbon isotopic compositions, apparent fractionation occurred to hydrogen, nitrogen and oxygen isotopic compositions during the synthesis of MDA. Fractionation observed in δ15N were explained by the reaction conditions during the addition of hydroxylamine. The fractionation observed in δ18O was consistent with the replacement and loss of an oxygen atom during the synthesis of the amide intermediate and MDA. A brief investigation into isotopic fractionation during MDA hydrogen chloride (HCl) salt precipitation was also conducted, and addnl. fractionation may be expected in both δ2H and δ15N during the process, consistent with the proposed mechanism. These results suggest that tactical intelligence can be gained from the batch-to-batch variations to isotopic composition of MDA during the synthesis from helional.

Forensic Chemistry published new progress about Isotope effect. 1205-17-0 belongs to class isoquinoline, name is 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde, and the molecular formula is C11H12O3, Application of 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Gur-Reznik, Shirra published the artcileInfluence of seasonal and operating conditions on the rejection of pharmaceutical active compounds by RO and NF membranes, Application In Synthesis of 117-96-4, the main research area is seasonal variation carbamazepine diatrizoate reverse osmosis nanofiltration wastewater treatment.

The effect of seasonal changes, ionic strength, effluent dilution, transmembrane pressure and spiked concentration on the rejection of the pharmaceutical active compounds (PhACs), carbamazepine (CBZ) and diatrizoate (DTZ) by reverse osmosis (RO) and nanofiltration (NF), was studied. They represent two families of compounds owning low/medium hydrophobicity and relatively high stability to biol. transformation at wastewater treatment plant conditions, frequently present in effluents. Experiments were performed with membrane bioreactor effluents and ultrapure water (UPW) to test the influence of background matrix on the rejection. Three RO (BW, SW and XLE) and two NF (NF90 and NF270) membranes were tested. RO exhibited high rejection of both the compounds (> 98%) regardless of membrane resolution or conditions tested. The loosest membrane tested, NF270, displayed a marked seasonal influence on CBZ rejection from effluents (up to 92% in summer and down to 50% in winter), whereas its rejection from UPW was steady (74 ± 7%). These findings strongly suggest that interactions between low/medium hydrophobicity-PhACs and effluent organic matter (EfOM) took place which markedly changed rejection efficiencies. These interactions seem to be highly correlated to EfOM quality, being enhanced during summer, increasing the removal of small PhACs even by loose nonporous membranes, but decreasing during winter, thus reducing rejection.

Desalination published new progress about Ionic strength. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Application In Synthesis of 117-96-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Qiuyue published the artcileLow-Temperature Catalytic Hydrogenolysis of Guaiacol to Phenol over Al-Doped SBA-15 Supported Ni Catalysts, Recommanded Product: 1,3-Dimethoxybenzene, the main research area is temperature catalytic hydrogenolysis guaiacol phenol aluminum supported nickel catalyst.

Selective hydrogenolysis of aromatic carbon-oxygen (Caryl-O) bonds is a key strategy for the generation of aromatic chems. from lignin. However, this process is usually operated at high temperatures and pressures over hydrogenation catalysts, resulting in a low selectivity for aromatics and an extra consumption of hydrogen. Here, a series of Al-doped SBA-15 mesoporous materials with different Si/Al molar ratios (Al-SBA-15) were prepared via a post-synthesis method using NaAlO2 as the Al source, and then Al-SBA-15 supported Ni catalysts (Ni/Al-SBA-15) were prepared by a deposition-precipitation method using urea as the hydrolysis reagent. The prepared supports and catalysts were extensively characterized using various techniques such as XRD, N2 adsorption/desorption, TEM, 27Al NMR, NH3-TPD, XPS, H2-TPR, and pyridine-FT-IR, and the catalysts were evaluated in the hydrogenolysis of the Caryl-O bond in guaiacol and lignin derived compounds under mild conditions. The effects of the Si/Al ratio in catalyst and reaction parameters on guaiacol conversion and product distribution were investigated in detail, associated with solvent effect. The incorporation of Al into the framework of SBA-15 can improve the Lewis acidity and the dispersion of the supported Ni particles and yet modulate the metal-support interactions, which are propitious to the hydrogenolysis of the Caryl-O bond in guaiacol. The catalyst Ni/Al-SBA-15 with a Si/Al molar ratio of 10 shows the best performance with a guaiacol conversion of 87.4% and a phenol selectivity of 76.9% under the mild conditions conducted, because of its proper acidity, suitable metal-support interactions, and high dispersion of the active species. The present study would stimulate research and development in multi-functional catalysts for the generation of valuable chems. from biomass.

ChemCatChem published new progress about Hydrogenolysis. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Recommanded Product: 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Utrilla-Vazquez, Marycarmen published the artcileAnalysis of volatile compounds of five varieties of Maya cocoa during fermentation and drying processes by Venn diagram and PCA, Category: isoquinoline, the main research area is volatile compound maya cocoa during fermentation drying processes; 2-Heptanone (PubChem CID: 8051); 2-Methylbutanal (PubChem CID: 7284); 2-Nonanone (PubChem CID: 13187); Acetophenone (PubChem CID: 7410); Benzeneacetaldehyde (PubChem CID: 998); Benzonitrile (PubChem CID: 7505); Cocoa beans; Criollo and Trinitario; Fermented and unfermented; Furfural (PubChem CID: 7362); Isobutyl benzoate (PubChem CID: 61048); Trimethylpyrazine (PubChem CID: 26808); Volatile profile, aromatic quality; β-Myrcene (PubChem CID: 31253).

Fermented cocoa beans can be described as a complex matrix that integrates the chem. history of beans, their processing, and environmental factors. This study presents an anal. that aims to identify volatile compounds of five varieties of fine-aroma cocoa types. The cocoa types studied were Carmelo, Rojo Samuel, Lagarto, Arcoiris, Regalo de Dios, that grow in the Maya lands of Chiapas, Mexico. Profile of volatile compounds was obtained from each cacao type during fermentation and drying process. This profile of volatile compounds also was compared with beans unfermented, using a statistical anal. of Venn diagram and a multivariate Anal. of Principal Components (PCA). One hundred nine different compounds were identified by SPME-HS GC-MS, these compounds mainly related to desirable aromatic notes generated by esters, aldehydes, ketones, and alcs. The differences in chem. composition of the volatile compounds were associated mainly with the process and not to cocoa varieties. Fermented dry cocoa beans showed a higher content of esters, aldehydes, pyrazines, alcs., some acids, and furans where Lagarto (CL), Rojo Samuel (CR), and Regalo de Dios (TRD) cocoas type showed a more interesting aromatic profile. On the other hand, as expected dry unfermented cocoas presented a few numbers of aroma compounds, in the five cacao types, where alcs., ketones and hydrocarbons predominated.

Food Research International published new progress about Drying process. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

McManaman, Karlie M. published the artcileEffect of Extraction Procedure and Gas Chromatography Temperature Program on Discrimination of MDMA Exhibits, Recommanded Product: 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde, the main research area is forensic extraction gas chromatog MDMA.

Anal. of impurities in seized MDMA tablets can be used to determine the synthesis method used and to identify links among exhibits. However, no standardized method exists to generate impurity profiles, limiting comparisons among different laboratories This research investigated the effect of extraction procedure and gas chromatog. temperature program on the resulting impurity profiles. Five exhibits were extracted using liquid-liquid extraction (LLE) and headspace solid-phase microextraction (HS-SPME), then analyzed using two different temperature programs. Profiles were statistically assessed using principal components anal. While LLE was more reproducible, more compounds were extracted using HS-SPME, thus providing more informative chem. profiles. The longer temperature program (53 min vs. 36 min) allowed greater discrimination of exhibits, due to improved precision as a result of an extended hold time (12 min). This research further highlights the need for standardized extraction and anal. procedures to allow comparison of chem. profiles generated in different laboratories

Journal of Forensic Sciences published new progress about Drugs of abuse. 1205-17-0 belongs to class isoquinoline, name is 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde, and the molecular formula is C11H12O3, Recommanded Product: 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Albak, F. published the artcileVariation of total aroma and polyphenol content of dark chocolate during three phase of conching, Name: 5-Methyl-2-phenylhex-2-enal, the main research area is polyphenol caffeine theobromine aroma conching dark chocolate; Aroma; Caffein; Dark chocolate; Phases of conching; Polyphenol and theobromine.

Variation in the volatiles, total polyphenol, theobromine and caffeine was investigated both qual. and quant. for all phases of conching with GC/MS/SPME, HPLC, GC/O, and UV-visible spectrophotometry. The volatile compounds being identified during the three phases consisted of aldehydes, ketones, pyrazines, acids, alcs. and esters. The number and concentration of these compounds were observed to be 31-25,681 ppb, 44-34,838 ppb and 44-29,809 ppb in the dry, pasty, and liquid phases resp. The odor of dark chocolate was described as nutty, sweet, caramel, green and chocolate using olfactometry. The percent decrease in the concentration of total polyphenol, caffeine and theobromine was observed to be only 3.0, 11.0, and 32.0 resp.

Journal of Food Science and Technology (New Delhi, India) published new progress about Dark chocolate. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Name: 5-Methyl-2-phenylhex-2-enal.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem