Month: December 2022

Furukawa, Takayuki published the artcileC-H borylation by platinum catalysis, Synthetic Route of 596819-12-4, the publication is Bulletin of the Chemical Society of Japan (2017), 90(3), 332-342, database is CAplus.

Herein, authors describe the platinum-catalyzed borylation of aromatic C-H bonds. N-Heterocyclic carbene-ligated platinum catalysts are efficient catalysts for the borylation of aromatic C(sp²)-H bonds when bis(pinacolato)diboron is used as the boron source. The most remarkable feature of these Pt catalysts is their lack of sensitivity towards the degree of steric hindrance around the C-H bonds undergoing the borylation reaction. These Pt catalysts allow for the synthesis of sterically congested 2,6-disubstituted phenylboronic esters, which are otherwise difficult to synthesize using existing C-H borylation methods. Furthermore, platinum catalysis allows for the site-selective borylation of the C-H bonds ortho to fluorine substituents in fluoroarene systems. Preliminary mechanistic studies and work towards the synthetic application of this platinum catalyzed C-H borylation process are described.

Bulletin of the Chemical Society of Japan published new progress about 596819-12-4. 596819-12-4 belongs to ethers-buliding-blocks, auxiliary class Thiophene,Boronic acid and ester,Ether,Boronate Esters,Boronic acid and ester, name is 2-(5-Methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C11H17BO3S, Synthetic Route of 596819-12-4.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Winefordner, J. D. published the artcileThe use of rigid ethanolic solutions for the phosphorimetric investigation of organic compounds of pharmacological interest, Recommanded Product: 4-(3-(4-Butoxyphenoxy)propyl)morpholine hydrochloride, the publication is Analytica Chimica Acta (1964), 31(3), 239-45, database is CAplus.

cf. CA 59 13102h; 60, 8605e. The phosphorescence excitation (mμ) and emission maximum (mμ), lifetime (sec.) and limit of detection (γ/ml.) of EtOH solutions at 77°K. of phenobarbital (I), Mebaral, Rutonal, atropine, benzocaine, procaine-HCl, p-aminobenzoic acid, butacaine sulfate, Cyclaine-HCl, Metycaine-HCl, PhCO₂H, cocaine-HCl, quinidine sulfate, quinine-HCl, lidocaine, caffeine, ephedrine, phenylephrinc-HCl, Tronothane-HCl, cinchophen, physostigmine sulfate, and chlortetracycline, are, resp., 240, 380, 1.8, 0.1; 240,380, 2.2, 0.01; 240, 380, 2.5, 0.02; 240,380, 2.1, 0.1; 310, 430, 5.3, 0.007; 310, 430, 3.5, 0.01; 310, 430, 3.2, 0.004; 310, 430, 5.7, 0.05; 240, 400, 2.4, 0.006; 240, 400, 2.7, 0.006; 240, 400, 2.3, 0.005; 240, 400, 2.7, 0.01; 340, 500, 1.3, 0.05; 340, 500, 1.3, 0.04; 265, 400, 1.1, 1.2; 285, 440, 2.0, 0.2; 225, 390, 3.6, 0.2; 290,390, 2.4, 0.01; 300, 410, 1.2, 0.02; 350, 520, 0.8, 0.02; 315, 420, 3.6, 0.03; 280, 410, 2.7, 0.05

Analytica Chimica Acta published new progress about 637-58-1. 637-58-1 belongs to ethers-buliding-blocks, auxiliary class Inhibitor, name is 4-(3-(4-Butoxyphenoxy)propyl)morpholine hydrochloride, and the molecular formula is C19H17N3O, Recommanded Product: 4-(3-(4-Butoxyphenoxy)propyl)morpholine hydrochloride.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Aranzazu, Sandra-L. published the artcileBF₃-Mediated Acetylation of Pyrazolo[1,5-a]pyrimidines and Other π-Excedent (N-Hetero)arenes, Quality Control of 91-16-7, the publication is Journal of Organic Chemistry (2022), 87(15), 9839-9850, database is CAplus and MEDLINE.

An operably simple microwave-assisted BF₃-mediated acetylation reaction of pyrazolo[1,5-a]pyrimidines and a plausible mechanism based on d. functional theory (DFT) theor. calculations for this transformation are reported. Remarkably, and to the best of authors knowledge, this is the first example of the direct acetylation for the functional pyrazolo[1,5-a]pyrimidine (PP) core. The synthesis of this essential building block is reported in high yields using mild reaction conditions, inexpensive reagents, and even substrates with electron-deficient or highly hindered groups. In addition, one of the new Me ketones was successfully used as a substrate for producing novel and valuable bis-electrophilic compounds with yields of up to 90%. Notably, the discovered acetylation method was successfully applied in other π-excedent (N-hetero)aromatic substrates.

Journal of Organic Chemistry published new progress about 91-16-7. 91-16-7 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether,Inhibitor,Inhibitor,Inhibitor, name is 1,2-Dimethoxybenzene, and the molecular formula is C8H10O2, Quality Control of 91-16-7.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Yan, Penghui published the artcileThe role of Ni sites located in mesopores in the selectivity of anisole hydrodeoxygenation, Application of 1,2-Dimethoxybenzene, the publication is Catalysis Science & Technology (2022), 12(7), 2184-2196, database is CAplus.

A highly dispersed Ni catalyst with an increased number of Ni sites selectively distributed in the mesopores of HBEA has been developed and applied in anisole hydrodeoxygenation (HDO) in a continuous-flow reactor under a high WHSV (2.8 min^-1). The developed catalyst (Ni/BEA-OR-PH) displayed a significantly higher cyclohexane formation rate compared to the catalysts prepared by incipient wetness impregnation (Ni/BEA-IWI) and deposition-precipitation (Ni/BEA-DP) methods, which was attributed to its higher number of accessible active metal sites in mesopores. While the Ni/BEA-DP as well as Ni/BEA-OR-PH exhibited a high dispersion, a higher concentration of Ni species was located in micropores and distributed as charge-compensating cations, leading to a low concentration of high-temperature desorbed H per surface Ni, which facilitates the hydrogenolysis activity but restricts the hydrogenation of aromatics Therefore, a high yield of BTX (benzene, toluene and xylene isomers) products was detected over Ni/BEA-DP.

Catalysis Science & Technology published new progress about 91-16-7. 91-16-7 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether,Inhibitor,Inhibitor,Inhibitor, name is 1,2-Dimethoxybenzene, and the molecular formula is C5H10Cl3O3P, Application of 1,2-Dimethoxybenzene.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Lv, Shao-Dong published the artcileTotal synthesis of (±)-Scrodentoid A, Name: 2-Isopropylanisole, the publication is Tetrahedron (2019), 75(52), 130774, database is CAplus.

An efficient total synthesis of scrodentoid A (I) was accomplished starting from a Hagemann’s ester and a substituted (2-bromoethyl)benzene. Key reactions in this synthesis include C-alkylation of the Hagemann’s ester, 6-endo-Trig cationic cyclization of an enone and Lewis acid promoted isomerization of a cis-fused ketone.

Tetrahedron published new progress about 2944-47-0. 2944-47-0 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 2-Isopropylanisole, and the molecular formula is C10H14O, Name: 2-Isopropylanisole.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Su, Boqing published the artcileAnalysis of the chemical components of pomelo peels (Citrus grandis [L.] Osbeck) from different cultivars by using supercritical CO₂ fluid extraction and ultra-high-performance liquid chromatography-tandem mass spectrometry, Application of 4-Hydroxy-3,5-dimethoxybenzaldehyde, the publication is Journal of Separation Science (2022), 45(15), 3031-3042, database is CAplus and MEDLINE.

Five pomelo cultivars (i.e., Citrus grandis cv. Shatianyou, Citrus grandis cv. Guanximiyou, Citrus grandis cv. Yuhuanyou, Citrus grandis cv. Duweiwendanyou and Citrus grandis cv. Liangpingyou) from different origins in China were selected to analyze their components by using supercritical CO₂ fluid extraction coupled with ultra-high-performance liquid chromatog.-tandem mass spectrometry. A total of 45 compounds were identified in the supercritical CO₂ fluid extracts of the pomelo peels from the five cultivars. These compounds included eight flavonoids, 18 coumarins, four organic acids, three aldehydes, and 12 other compounds, which were identified using the obtained MS data and by comparison with com. standards, orbitrap Chinese Traditional Medicine Library, and previous literature. Twenty-five of the identified compounds were detected for the first time in the pomelo peel extracts Results suggested that the pomelo peels of C. grandis cv. Shatianyou contained the most natural chem. compositions The pooled result may offer scientific evidence for further development and utilization of pomelo peels and a route for screening appropriate varieties for various demands.

Journal of Separation Science published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C19H28BNO4, Application of 4-Hydroxy-3,5-dimethoxybenzaldehyde.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Cuprys, Agnieszka published the artcilePotential of agro-industrial produced laccase to remove ciprofloxacin, Synthetic Route of 134-96-3, the publication is Environmental Science and Pollution Research (2022), 29(7), 10112-10121, database is CAplus and MEDLINE.

Ciprofloxacin (CIP), a widely used antibiotic, is frequently detected in the environment due to insufficient wastewater and water treatment. Hence, novel, green and cost-effective technologies are required to enhance the removal of these pollutants. The potency of crude enzymes, especially laccases, produced by white-rot fungi was tested to assess their effectiveness to degrade CIP from water. Crude laccase alone could not oxidize CIP. The addition of syringaldehyde, a redox mediator, resulted in a decrease in antibiotic concentration up to 68.09±0.12% in 24 h, which was the highest removal efficiency achieved with 0.15 mg/mL syringaldehyde and 2 mg/mL of crude laccase (0.1 U/mL). Crude laccase oxidation of CIP was inhibited after 6 h of treatment. To compare, a pure enzyme with the same activity as the crude one removed 86% of CIP in 24 h. No inhibitory effect during the treatment was observed The estimation of antimicrobial efficiency revealed that after 6 h of treatment, the toxicity towards Escherichia coli decreased by 30%. The wastewater treatment by the crude laccase-mediated system was estimated to significantly reduce the cost of enzymic treatment.

Environmental Science and Pollution Research published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C9H10O4, Synthetic Route of 134-96-3.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Barnash, Kimberly D. published the artcileDiscovery of Peptidomimetic Ligands of EED as Allosteric Inhibitors of PRC2, Safety of (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid, the publication is ACS Combinatorial Science (2017), 19(3), 161-172, database is CAplus and MEDLINE.

The function of EED within Polycomb repressive complex 2 (PRC2) is mediated by a complex network of protein-protein interactions. Allosteric activation of PRC2 by binding of methylated proteins to EED’s aromatic cage is essential for full catalytic activity, but details of this regulation are not fully understood. EED’s recognition of the product of PRC2 activity, histone H3 lysine 27 trimethylation (H3K27me3), stimulates PRC2 methyltransferase activity at adjacent nucleosomes leading to H3K27me3 propagation and, ultimately, gene repression. By coupling combinatorial chem. and structure-based design, we optimized a low affinity methylated Jarid2 peptide to a smaller, more potent peptidomimetic ligand (Kd = 1.14 ± 0.14 μM) of the aromatic cage of EED. Our strategy illustrates the effectiveness of applying combinatorial chem. to achieve both ligand potency and property optimization. Furthermore, the resulting ligands, UNC5114 and UNC5115, demonstrate that targeted disruption of EED’s reader function can lead to allosteric inhibition of PRC2 catalytic activity.

ACS Combinatorial Science published new progress about 77128-73-5. 77128-73-5 belongs to ethers-buliding-blocks, auxiliary class Inhibitor, name is (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid, and the molecular formula is C25H23NO4, Safety of (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Thoa, Le Thi Kim published the artcileBiodegradation and Detoxification of Malachite Green Dye by Extracellular Laccase Expressed from Fusarium oxysporum, Application In Synthesis of 134-96-3, the publication is Waste and Biomass Valorization (2022), 13(5), 2511-2518, database is CAplus.

The present study evaluated the potential of biodegrading the toxic synthetic dye malachite green (MG) by an enzymic approach. Extracellular laccase derived a fungal strain Fusarium oxysporum HUIB02 was used in the direct biodegradation of MG. Time-course study showed that the crude laccase successfully removed ≥ 80% MG after 20 h of treatment. The presence of Cu²⁺ ions enhanced MG degradation, while cation Fe²⁺ and anions including Cl^– and I^– reduced the degradation efficiency. The optimal temperature was 40°C. Supplementation of mediators including syringaldehyde (SA), 1-hydroxybenzotriazole (HBT), and vanillin (VA) improved the MG degradation up to 99%. Under the optimal reaction conditions, the MG degradation efficiency of laccase reached ≥ 90% when MG concentration was ≤ 100 mg/L. At a higher concentration (1000 mg/L of MG), the enzyme still removed 88.1% the present dye. The detoxification evaluation confirmed the nullification of MG toxicity on microorganism after the enzymic treatment. Hence, this enzymic degradation approach is promising for the treatment of effluents containing MG.

Waste and Biomass Valorization published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C7H5ClN2S, Application In Synthesis of 134-96-3.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Di Micco, Simone published the artcileIdentification of 2-(thiophen-2-yl)acetic acid-based lead compound for mPGES-1 inhibition, Safety of (3-((2-Chlorobenzyl)oxy)phenyl)boronic acid, the publication is Frontiers in Chemistry (Lausanne, Switzerland) (2021), 676631, database is CAplus and MEDLINE.

We report the implementation of our in silico/synthesis pipeline by targeting the glutathione-dependent enzyme mPGES-1, a valuable macromol. target in both cancer therapy and inflammation therapy. Specifically, by using a virtual fragment screening approach of aromatic bromides, straight forwardly modifiable by the Suzuki-Miyaura reaction, we identified 3-phenylpropanoic acid and 2-(thiophen-2- yl)acetic acid to be suitable chem. platforms to develop tighter mPGES-1 inhibitors. Among these, compounds 1c and 2c showed selective inhibitory activity against mPGES-1 in the low micromolar range in accordance with mol. modeling calculations Moreover, 1c and 2c exhibited interesting IC₅₀ values on A549 cell lines compared to CAY10526, selected as reference compound The most promising compound 2c induced the cycle arrest in the G₀/G₁ phase at 24 h of exposure, whereas at 48 and 72 h, it caused an increase of subG₀/G₁ fraction, suggesting an apoptosis/necrosis effect.

Frontiers in Chemistry (Lausanne, Switzerland) published new progress about 845551-45-3. 845551-45-3 belongs to ethers-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is (3-((2-Chlorobenzyl)oxy)phenyl)boronic acid, and the molecular formula is C13H12BClO3, Safety of (3-((2-Chlorobenzyl)oxy)phenyl)boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem