Category: 121-00-6

Wang, Yandong published the artcileElectrochemical Cross-Dehydrogenative Coupling between Phenols and β-Dicarbonyl Compounds: Facile Construction of Benzofurans, COA of Formula: C11H16O2, the main research area is benzofuran preparation; phenol beta dicarbonyl electrochem cross dehydrogenative coupling cyclocondensation; benzofurans; cross-dehydrogenative coupling; electrochemistry; phenols; reaction mechanisms.

Preparative electrochem. synthesis is an ideal method for establishing green, sustainable processes. The major benefits of an electro-organic strategy over that of conventional chem. synthesis are the avoidance of reagent waste and mild reaction conditions. Here, an intermol. cross-dehydrogenative coupling between phenols and β-dicarbonyl compounds has been developed to build various benzofurans under undivided electrolytic conditions. Neither transition metals nor external chem. oxidants are required to facilitate the dehydrogenation and dehydration processes. The key factor in success was the use of nBu4NBF4 as the electrolyte and hexafluoroisopropanol as the solvent, which play key roles in the cyclocondensation step. This electrolysis is scalable and can be used as a key step in drug synthesis. On the basis of several exptl. results, the mechanism, particularly of the remarkable anodic oxidation and cyclization process, was illustrated.

Chemistry – A European Journal published new progress about Benzofurans Role: SPN (Synthetic Preparation), PREP (Preparation). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, COA of Formula: C11H16O2.

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

Li, Zhongle published the artcileActivity of bacteria isolated from bats against Pseudogymnoascus destructans in China, Formula: C11H16O2, the main research area is Rhinolophus isoprenol octanoicacid antifungal agent Pseudogymnoascus.

White-nose syndrome, a disease that is caused by the psychrophilic fungus Pseudogymnoascus destructans, has threatened several North America bat species with extinction. Recent studies have shown that East Asian bats are infected with P. destructans but show greatly reduced infections. While several factors have been found to contribute to these reduced infections, the role of specific microbes in limiting P. destructans growth remains unexplored. We isolated three bacterial strains with the ability to inhibit P. destructans, namely, Pseudomonas yamanorum GZD14026, Pseudomonas brenneri XRD11711 and Pseudomonas fragi GZD14479, from bats in China. Pseudomonas yamanorum, with the highest inhibition score, was selected to extract antifungal active substance. Combining mass spectrometry (MS) and NMR (NMR) spectroscopy analyses, we identified the active compound inhibiting P. destructans as phenazine-1-carboxylic acid (PCA), and the minimal inhibitory concentration (MIC) was 50.12μg ml-1. Whole genome sequencing also revealed the existence of PCA biosynthesis gene clusters. Gas chromatog.-mass spectrometry (GC-MS) anal. identified volatile organic compounds The results indicated that 10 ppm octanoic acid, 100 ppm 3-tert-butyl-4-hydroxyanisole (isoprenol) and 100 ppm 3-methyl-3-buten-1-ol (BHA) inhibited the growth of P. destructans. These results support that bacteria may play a role in limiting the growth of P. destructans on bats.

Microbial Biotechnology published new progress about 16S rRNA Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Formula: C11H16O2.

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

Huff Chester, Anndee published the artcileContaminants of Emerging Concern in the Lower Volta River, Ghana, West Africa: The Agriculture, Aquaculture, and Urban Development Nexus, Quality Control of 121-00-6, the main research area is emerging concern contaminant Volta river Ghana West Africa; Contaminants of emerging concern; Ecotoxicology; Environmental chemistry; Microbial toxicology; Organic contaminants.

Contaminants of emerging concern (CECs) are ubiquitous in aquatic environments across all continents and are relatively well known in the developed world. However, few studies have investigated their presence and biol. effects in low- and middle-income countries. We provide a survey of CEC presence in the Volta River, Ghana, and examine the microbial consequences of anthropogenic activities along this economically and ecol. important African river. Water and sediment samples were taken by boat or from shore at 14 sites spanning 118 km of river course from the Volta estuary to the Akosombo dam. Sample extracts were prepared for targeted anal. of antimicrobial CECs, N,N-diethyl-meta-toluamide, and per- and polyfluoroalkyl substances (PFAS; water only). Concurrent samples were extracted to characterize the microbial community and antibiotic-resistant genes (ARGs). Antibiotics and PFAS (PFAS, 2-20 ng/L) were found in all water samples; however, their concentrations were usually in the low nanograms per L range and lower than reported for other African, European, and North American studies. N,N-Diethyl-meta-toluamide was present in all samples. The number of different genes detected (between one and 10) and total ARG concentrations varied in both water (9.1 x 10-6 to 8.2 x 10-3) and sediment (2.2 x 10-4 to 5.3 x 10-2), with increases in gene variety at sites linked to urban development, sand mining, agriculture, and shellfish processing. Total ARG concentration spikes in sediment samples were associated with agriculture. No correlations between water quality parameters, CEC presence, and/or ARGs were noted. The presence of CECs in the lower Volta River highlights their global reach. The overall low concentrations of CECs detected is encouraging and, coupled with mitigation measures, can stymie future CEC pollution in the Volta River.

Environmental Toxicology and Chemistry published new progress about 16S rRNA Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Quality Control of 121-00-6.

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

Hielscher, Maximilian published the artcileOptimization Strategies for the Anodic Phenol-Arene Cross-Coupling Reaction, Product Details of C11H16O2, the main research area is phenol bezene regioselective electrochem dehydrogenative cross coupling; hydoxyphenyl benzene preparation.

Dehydrogenative phenol-arene cross-coupling by direct anodic oxidation is a promising alternative to reductive cross-coupling, especially for construction of smaller mols. The reaction pathway via phenoxyl radicals allows for unusual regioselectivity. Nevertheless, the numerous electrolysis parameters pose a challenge for optimization, as they determine the yield and selectivity of the reaction. Using design of experiments, optimization strategies for two example reactions to improve the space-time yield were reported. In particular, coupling reactions with 2,6-dimethoxyphenol (syringol) were found to be very robust in the electrolysis at high current densities of up to 150 mA/cm2. Cyclic voltammetry was used to classify combinations of phenols and arenes, on the basis of which the various clusters were optimized. Based on this classification, various biaryls were synthesized and isolated in yields of up to 85%.

ChemElectroChem published new progress about Benzenoid aromatic compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Product Details of C11H16O2.

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

Vershinin, Vlada published the artcileMechanistic Insights into the FeCl3-Catalyzed Oxidative Cross-Coupling of Phenols with 2-Aminonaphthalenes, Application In Synthesis of 121-00-6, the main research area is iron trichloride catalyzed oxidative cross coupling phenol naphthol aminonaphthalene.

The selective FeCl3-catalyzed oxidative cross-coupling reaction between phenols and primary, secondary, and tertiary 2-aminonaphthalene derivatives was investigated. The generality of this scalable method provides a sustainable alternative for preparing N,O-biaryl compounds that are widely used as ligands and catalysts. Based on a comprehensive kinetic investigation, a catalytic cycle involving a ternary complex that binds to both the coupling partners and the oxidant during the key oxidative coupling step is postulated. Furthermore, the studies showed that the reaction is regulated by off-cycle acid-base and ligand exchange processes.

Journal of Organic Chemistry published new progress about Biaryls Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Application In Synthesis of 121-00-6.

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

Doerr, Maurice published the artcileSynthesis of Highly Functionalized N,N-Diarylamides by an Anodic C,N-Coupling Reaction, Name: 4-Hydroxy-3-tert-butylanisole, the main research area is diaryl amide preparation; benzoxazole tertiary butyl methoxyphenol anodic dehydrogenative coupling; C,N-coupling; C−H activation; electrochemistry; oxidation; sustainable chemistry.

An innovative, sustainable and straightforward protocol was reported for the synthesis of N,N-diarylamides I [R1 = H, 3-Me, 4-Me, 5-Me, 3-Br, 4-Cl; R2 = H, Me, Et] equipped with nonprotected hydroxyl groups by using electrosynthesis. The concept allowed the application of various substrates furnishing diarylamides with yields up to 57 % within a single and direct electrolytic protocol. The method was thereby easy to conduct in an undivided cell with constant current conditions offering a versatile and short-cut alternative to conventional pathways.

Chemistry – A European Journal published new progress about Benzoxazoles Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Name: 4-Hydroxy-3-tert-butylanisole.

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

Lowicki, Daniel published the artcileStereoselective protonation of 2-methyl-1-tetralone lithium enolate catalyzed by salan-type diamines, Related Products of ethers-buliding-blocks, the main research area is methyl tetralone preparation enantioselective DFT; methyltetralone lithium enolate protonation chiral amine catalyst.

An efficient enantioselective protonation of 2-methyl-1-tetralone lithium enolate catalyzed by salan-type diamines I (Y = H, Me; X = H, OH, OMe; Z = t-Bu, H, NO2, Br, OMe; R = H, t-Bu, triphenylmethyl) and IInod t-bu was reported. A broad series of salan-type catalysts I and II was synthesized, including several previously unknown, and subsequently tested in the title reaction. For the first time, a chiral amine I and II used as organocatalyst has shown better results than as stoichiometric protonating agent. Application of only 10 mol% of salan I and II allows to obtain the (S)-2-methyl-1-tetralone with high yield and enantiomeric excess up to 75%. The DFT calculations of the structure of the catalyst and its complex with lithium enolate were conducted, which makes it possible to propose a likely reaction mechanism.

Tetrahedron published new progress about Cyclohexanes Role: CAT (Catalyst Use), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), USES (Uses), RACT (Reactant or Reagent), PREP (Preparation). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Related Products of ethers-buliding-blocks.

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

Wang, Lin published the artcileEstablishment of a lung cancer discriminative model based on an optimized support vector machine algorithm and study of key targets of wogonin in lung cancer, Synthetic Route of 121-00-6, the main research area is lung cancer wogonin support vector machine algorithm; SVM; key targets; lung cancer; network pharmacology; serum index; wogonin.

An optimized support vector machine model was used to construct a lung cancer diagnosis model based on serol. indicators, and a mol. regulation model of Wogonin, a component of Scutellaria baicalensis, was established. Serol. indexes of patients were collected, the grid search method was used to identify the optimal penalty coefficient C and parameter g of the support vector machine model, and the benign and malignant auxiliary diagnosis model of isolated pulmonary nodules based on serol. indicators was established. The regulatory network and key targets of Wogonin in lung cancer were analyzed by network pharmacol., and key targets were detected by western blot. The relationship between serol. susceptibility genes and key targets of Wogonin was established, and the signaling pathway of Wogonin regulating lung cancer was constructed. After support vector machine parameter optimization (C = 90.597, g = 32), the accuracy of the model was 90.8333%, with nine false positives and two false neg. cases. Ontol. functional anal. of 67 common genes between Wogonin targets and lung cancer-related genes showed that the targets were associated with biol. processes involved in peptidye-serine modification and regulation of protein kinase B signaling; cell components in the membrane raft and chromosomal region; and mol. function in protein serine/threonine kinase activity and heme binding. Kyoto Encyclopedia of Genes and Genomes anal. showed that the regulation pathways involved the PI3K-Akt signaling pathway, ERBB signaling pathway, and EGFR tyrosine kinase inhibitor resistance. In vitro analyses using lung cancer cells showed that Wogonin led to significantly increased levels of cleaved caspase-3 and Bad and significantly decreased Bcl-2 expression in a concentration-dependent manner. ErbB4 expression also significantly decreased in lung cancer cells after treatment with Wogonin. A regulatory network of Wogonin regulating lung cancer cell apoptosis was constructed, including the participation of serol. susceptibility genes. There is a certain regulatory effect between the serol. indexes that can be used in the diagnosis of lung cancer and the key targets of Chinese herbal medicine treatment of lung cancer, which provides a new idea for the diagnosis, treatment and prognosis of clin. lung cancer.

Frontiers in Pharmacology published new progress about Animal gene Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (YAP). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Synthetic Route of 121-00-6.

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

Blackburn, Karen L. published the artcileAn interim internal Threshold of Toxicologic Concern (iTTC) for chemicals in consumer products, with support from an automated assessment of ToxCast dose response data, Application In Synthesis of 121-00-6, the main research area is chem consumer product ToxCast dose response assessment; High throughput screening data analysis; Risk assessment; SAR; Structure activity relationships; TTC; Threshold of toxicological concern; ToxCast.

Addnl. non-animal methods are urgently needed to meet regulatory and animal welfare goals. TTC is a broadly used risk assessment tool. TTC based on external dose has limited utility for multi-route exposure and some types of structure activity relationship assessments. An internal TTC (iTTC), where thresholds are based on blood concentration, would extend the applicability of TTC. While work is on-going to develop robust iTTC thresholds, we propose an interim conservative iTTC. Specifically, an interim iTTC of 1μM, supported by the published experience of the pharmaceutical industry, a literature review of non-drug chem./receptor interactions, and anal. of ToxCast data. ToxCast data were used to explore activity vs. the 1μM interim iTTC and recommendations for the anal. and interpretation of HTS data. Test concentration-based points of departure were classified to identify quality of fit to the Hill Model. We identified, for exclusion from the approach, estrogen receptor and androgen receptor targets as potent chem./receptor interactions potentially associated with low dose exposure to non-pharmaceutical active ingredients in addition to the original TTC exclusions. With these exclusions, we conclude that a 1μM plasma concentration is unlikely to be associated with significant biol. effects from chems. not intentionally designed for biol. activity.

Regulatory Toxicology and Pharmacology published new progress about Androgen receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Application In Synthesis of 121-00-6.

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

Casagrande, Marcella published the artcileDirect Analysis of Synthetic Phenolic Antioxidants, and Fatty Acid Methyl Ester Stability in Biodiesel by Liquid Chromatography and High-Resolution Mass Spectrometry, SDS of cas: 121-00-6, the main research area is phenolic antioxidant fatty acid methyl ester biodiesel HPLC MS.

Methods to identify and quantify synthetic phenolic antioxidants, 3-tert-butyl-4-hydroxyanisole (BHA), butylated hydroxytoluene (BHT), tert-butyl-hydroquinone (TBHQ) and Pr gallate (PG), in biodiesel samples by using reversed-phase liquid chromatog. (LC) were developed. Using a C18 phase with LC and UV detection showed coelution between BHT and fatty acid Me esters (FAME) in the biodiesel sample, whereas an alkyl Ph modified stationary phase resulted in good separation of all antioxidants from the fatty acid matrix, and allowed more accurate quantification of antioxidants in biodiesel samples. The latter column was applied for further study. Calibration curves for the 4 antioxidants were constructed, and the limit of detection estimated Good calibration linearity was observed over the studied concentration range of 10-80 ppm, with correlation coefficients (R2) ranging from 0.9986 to 0.9995 for all antioxidants. LOD values of 0.010, 0.015, 0.0125 and 0.030 ppm, and recoveries of 70 ± 2, 85 ± 2, 103 ± 2 and 92 ± 4% for PG, TBHQ, BHA and BHT at injected concentrations of 35 ppm were established, resp. The method was applied for quantification of antioxidants in biodiesel without addition of spiked antioxidants, then for biodiesel spiked with the 4 antioxidants, and a com. source of biodiesel with BHT addition Identification of FAME in the biodiesel samples was performed by using an instrument capable of ultra-high performance LC hyphenated with an electrospray Orbitrap mass spectrometer (UHPLC-ESI-OrbitrapMS). The stability of antioxidants and FAME in different samples was then studied. Total FAME C18 content decreased to 52 ± 4% weight/weight after 1 wk, and 29 ± 6% weight/weight after 8 wk in the test sample without antioxidants; FAME content and antioxidant composition were stable in the samples with antioxidants added, even after 8 wk exposure to sunlight.

Chromatographia published new progress about Fatty acids, Me esters Role: ANT (Analyte), PRP (Properties), ANST (Analytical Study). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, SDS of cas: 121-00-6.

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