Tag: M.W=200-250

Huang, Xi-Shou published the artcileThe synthesis, structure and activity evaluation of secnidazole derivatives as Helicobacter pylori urease inhibitors, Application In Synthesis of 328-90-5, the publication is Current Bioactive Compounds (2011), 7(4), 268-280, database is CAplus.

Various secnidazole derivatives were synthesized and evaluated for Helicobacter pylori (H. pylori) urease inhibitory activities and anti-inflammatory activities. The most potent urease inhibitory activities and anti-inflammatory activities were in the range of IC₅₀ = 1.0-2.0 μM and 59-72% inhibition, resp. Docking simulation was performed with one of the compounds into the urease active site to determine the probable binding model. The compounds with potent inhibitory activity against H. pylori may be potential antibacterial agents.

Current Bioactive Compounds published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Application In Synthesis of 328-90-5.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Stanisic, Danijela published the artcileNew sustainable process for hesperidin isolation and anti-aging effects of hesperidin nanocrystals, Formula: C11H24O3, the publication is Molecules (2020), 25(19), 4534, database is CAplus and MEDLINE.

Hesperidin, a secondary orange (Citrus sinensis) metabolite, was extracted from orange bagasse. No organic solvents or addnl. energy consumption were used in the clean and sustainable process. Hesperidin purity was approx. 98% and had a yield of 1%. Hesperidin is a known supplement due to antioxidant, chelating, and anti-aging properties. Herein, hesperidin application to eliminate dark eye circles, which are sensitive and thin skin regions, was studied. In addition, the proposed method for its aqueous extraction was especially important for human consumption. Further, the most effective methods for hesperidin nanonization were explored, after which the nanoemulsions were incorporated into a cream formulation that was formulated for a tropical climate. Silky cream formulations (oil in water) were tested in vitro on artificial 3D skin from cultured cells extracted from skin residues after plastic surgery. The proposed in vitro assay avoided tests of the different formulations in human volunteers and animals. It was shown that one of the nanonized hesperidin formulations was the most skin-friendly and might be used in cosmetics.

Molecules published new progress about 70445-33-9. 70445-33-9 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic Chain, name is 3-((2-Ethylhexyl)oxy)propane-1,2-diol, and the molecular formula is C7H5ClN2S, Formula: C11H24O3.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Khan, Ali published the artcileChange of the microemulsion structure with the hydrophile-lipophile balance of the surfactant and the volume fractions of water and oil, Quality Control of 70445-33-9, the publication is Journal of Physical Chemistry (1986), 90(22), 5799-801, database is CAplus.

In the 4-component system water/C₁₂H₂₅OCH₂CH₂SO₄Ca_1/2/C₄H₉CH(C₂H₅)CH₂O CH₂CH(OH)CH₂OH/C₁₀H₂₂ with 5 weight% total surfactant (surfactant + cosurfactant), 2 different microemulsion phases are formed when water and oil contents are both high, with only small differences in cosurfactant content. The structure of the microemulsions was investigated by the Fourier transform pulsed gradient spin-echo NMR technique and was found to be quite different (closed domains of oil in water, or water in oil, or bicontinuous) for different conditions (water-to-oil ratio, cosurfactant concentration). The microemulsion structure changes dramatically with small changes in cosurfactant concentration

Journal of Physical Chemistry published new progress about 70445-33-9. 70445-33-9 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic Chain, name is 3-((2-Ethylhexyl)oxy)propane-1,2-diol, and the molecular formula is C11H24O3, Quality Control of 70445-33-9.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Pospisil, Jan published the artcileAntioxidants and stabilizers. XXII. Comparison of the antioxidative activities of dihydric phenols and their oxidation products, Formula: C14H22O2, the publication is European Polymer Journal (1970), 6(10), 1347-58, database is CAplus.

The effects of 4-tert-alkyl pyrocatechols (I) and their oxidation produces on the autoxidation of Tetralin (initiated at 60° with azobisisobutyronitrile) were investigated. Whereas I act as oxidation inhibitors, 4-tert-alkyl 1,2-benzoquinones have pronounced retardation effects and 2-hydroxy-5-tert-alkyl 1,4-benzoquinones have only negligible effects. Similar investigations were carried out with 2-tert-alkyl hydroquinones, the inhibition activities of which are 2.5 to 3.5 times lower than those of I. The oxidation products of alkylhydroquinones (2-tertalkyl 1,4-benzoquinones and 2-hydroxy-6-tert-alkyl 1,4-benzoquinones) are much weaker oxidation retarders than quinones derived from alkylpyrocatechols. The antioxidative activity of I and 2-tert-alkyl hydroquinones in the stabilization of Tetralin is influenced by the same substituent factors as in the oxidation of isotactic polypropylene. Conclusions concerning the structural factors influencing the antioxidative activity of these quinoid compounds can be extrapolated to the polymeric substrate.

European Polymer Journal published new progress about 1139-46-4. 1139-46-4 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Phenol, name is 4-(2,4,4-Trimethylpentan-2-yl)benzene-1,2-diol, and the molecular formula is C14H22O2, Formula: C14H22O2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Huang, Jinbao published the artcileDensity functional theory studies on pyrolysis mechanism of β-O-4 type lignin dimer model compound, Category: alcohols-buliding-blocks, the publication is Journal of Analytical and Applied Pyrolysis (2014), 98-108, database is CAplus.

Lignin is the main component of biomass with a complex, heterogeneous, three-dimensional polymeric structure of three main monolignols (p-coumaryl, coniferyl, and sinapyl alc.). In order to understand the pyrolysis mechanism of lignin and identify the chem. pathways for the formations of key products during pyrolysis, the pyrolysis processes of β-O-4 type lignin dimer model compound 1 (1-phenyl-2-phenoxy-1,3-propanediol) were theor. investigated by employing d. functional theory (DFT) methods at the B3LYP/6-31G(d,p) level. Based on related exptl. and calculation results of bond dissociation energies of β-O-4 type lignin dimer, three possible pyrolytic pathways (the homolytic cleavage of Cβ-O bond, the homolytic cleavage of Cα-Cβ bond and the concerted reactions) were proposed, the activation energies of each reaction step were calculated, and the temperature effect on pyrolysis processes was analyzed. The calculation results indicate that the homolytic cleavage reaction of Cβ-O bond and concerted reaction pathways could be the major reaction channels, and the homolytic cleavage reaction of Cα-Cβ bond and concerted reaction pathways could be the competitive reaction channels in pyrolysis processes. The concerted reactions would dominate over free-radical homolytic reactions at lower temperatures, while at high temperatures the free-radical reaction (C-O homolysis) would dominate over the concerted reactions.

Journal of Analytical and Applied Pyrolysis published new progress about 70110-65-5. 70110-65-5 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Alcohol,Ether,Benzene Compounds, name is 2-Phenoxy-1-phenylpropane-1,3-diol, and the molecular formula is C15H16O3, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Kong, Xiangchen published the artcileCritical Roles of the Oxygen-Containing Functional Groups via β-O-4 Lignin Linkage Hydrogenolysis over Copper Catalysts, Safety of 2-Phenoxy-1-phenylpropane-1,3-diol, the publication is ACS Sustainable Chemistry & Engineering (2021), 9(32), 10939-10947, database is CAplus.

The fundamental understanding of the catalytic performance of copper-based catalysts for lignin hydroconversion is delayed compared with the empirical optimization of the catalyst preparation Herein, we investigate the interplay between the lignin-abundant oxygen-containing functional groups and Cu active species via the catalytic β-O-4 lignin linkage hydrogenolysis. Catalyst performance data and elemental spectra characterizing the catalyst demonstrate the dominance of Cu⁰ in the catalysis. Remarkably, C_α-OH and C_α=O in the aliphatic chain play critical roles in this process, without which the linkage cannot be broken. These groups markedly accelerate the linkage cleavage by decreasing both the chemisorption energy between C_β-O and Cu⁰ and the bond dissociation energy of the linkage. On the contrary, the methoxyl groups attached to the aromatic rings hinder the bond cleavage as a result of the steric effect. Such hindrance is significantly affected by the amount and position of the methoxyl groups. The results of this work highlight the importance of the unique structures of lignin in its reductive depolymerization catalyzed by copper-based catalysts, which appear to offer an opportunity for tailoring efficient copper-based catalysts for lignin hydrogenolysis.

ACS Sustainable Chemistry & Engineering published new progress about 70110-65-5. 70110-65-5 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Alcohol,Ether,Benzene Compounds, name is 2-Phenoxy-1-phenylpropane-1,3-diol, and the molecular formula is C15H16O3, Safety of 2-Phenoxy-1-phenylpropane-1,3-diol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Cheng, Jinling published the artcileComprehensive Studies on Excited-State Proton Transfer of a Series of 2-(2′-Hydroxyphenyl)benzothiazole Derivatives: Synthesis, Optical Properties, and Theoretical Calculations, Safety of 2-Hydroxy-4-(trifluoromethyl)benzoic acid, the publication is Journal of Physical Chemistry C (2015), 119(8), 4242-4251, database is CAplus.

A group of novel 2-(2′-hydroxyphenyl)benzothiazole derivatives (1-4) with excited-state intramol. proton transfer (ESIPT) character were synthesized. Their photophys. properties were studied by means of steady-state absorption and fluorescence spectra and time-resolved emission method as well as theor. calculation in a variety of solvents. All of these compounds can yield single fluorescence at the green region in nonpolar solvents such as n-hexane, while dual fluorescence consisting of the blue and green bands was captured in strong polar solvents like acetonitrile. In addition, a third emission band between the former two bands was detected for these mols. simultaneously with the blue and green ones generating the well-structured triple fluorescence in protic solvent like ethanol. Systematical comparison of the fluorescence of these compounds in a series of solvents demonstrated that nonpolar solvents would facilitate ESIPT process and the green emission from the keto format, while the strong polar solvents impede the ESIPT process and favor the blue normal emission from enol. Protic solvents facilitate deprotonation and make the phenolic anion coexist with keto and enol and consequently lead to triple fluorescence. On the premise of identical keto emission intensity, the normal emission intensity of these compound increases consecutively in the order of increasing electron-withdrawing ability of the substituents regardless of solvents. The results of quantum-chem. calculations are well in line with the exptl. spectra.

Journal of Physical Chemistry C published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Safety of 2-Hydroxy-4-(trifluoromethyl)benzoic acid.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Cheng, Jinling published the artcileA Single 2-(2′-Hydroxyphenyl)benzothiazole Derivative Can Achieve Pure White-Light Emission, Application of 2-Hydroxy-4-(trifluoromethyl)benzoic acid, the publication is Chemistry – An Asian Journal (2014), 9(11), 3215-3220, database is CAplus and MEDLINE.

The synthesis and photophysics of two novel 2-(2′-hydroxyphenyl)benzothiazole (HBT) derivatives are presented. The electron-withdrawing trifluoromethyl (CF₃) group in compound 1 facilitates the deprotonation of the phenolic hydroxy group. Well-resolved triple fluorescence from the enol, keto, and phenolic anion, which ranges from 350 to 600 nm, was detected for 1 in ethanol, which marks the first time triple fluorescence from an excited-state intramol. proton transfer (ESIPT) mol. was reported. Both triphenylamine and CF₃ were introduced into derivative 2. Intramol. charge transfer and the “red-edge effect” resulted in the bathochromic shift of dual fluorescence of 2. Triple fluorescence was also observed for 2 in ethanol. In mixed acetonitrile and ethanol, pure white-light emission with CIE coordinates of (0.33, 0.33) and a quantum yield of 0.25 was achieved for 2. This work provides a new avenue for the rational design of an ESIPT mol. to achieve white-light generation under mild conditions.

Chemistry – An Asian Journal published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Application of 2-Hydroxy-4-(trifluoromethyl)benzoic acid.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Li, Renhe published the artcileRedox-Neutral ortho Functionalization of Aryl Boroxines via Palladium/Norbornene Cooperative Catalysis, Category: alcohols-buliding-blocks, the publication is Chem (2019), 5(4), 929-939, database is CAplus and MEDLINE.

A redox-neutral ortho functionalization of aryl boroxines via Pd/NBE catalysis was reported. An electrophile, such as carboxylic acid anhydrides or O-benzoyl hydroxylamines, was coupled at the boroxine ortho position, and a proton as the second electrophile was introduced at the ipso position. This reaction did not require extra oxidants or reductants and avoided stoichiometric bases or acids, thereby tolerating a wide range of functional groups. In particular, orthogonal chemoselectivity between aryl iodide and boroxine moieties was demonstrated, which could be used to control reaction sequences. Finally, a deuterium-labeling study supported the ipso protonation pathway. This unique mechanistic feature could inspire the development of a new class of Pd/NBE-catalyzed transformations.

Chem published new progress about 1370732-71-0. 1370732-71-0 belongs to alcohols-buliding-blocks, auxiliary class Boronic acid and ester, name is (3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol, and the molecular formula is C14H21BO3, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Routti, Heli published the artcileEnvironmental Chemicals Modulate Polar Bear (Ursus maritimus) Peroxisome Proliferator-Activated Receptor Gamma (PPARG) and Adipogenesis in Vitro, Related Products of alcohols-buliding-blocks, the publication is Environmental Science & Technology (2016), 50(19), 10708-10720, database is CAplus and MEDLINE.

The authors studied interactions between polar bear peroxisome proliferator-activated receptor gamma (pbPPARG) and selected compounds using a luciferase reporter assay and predictions through mol. docking. Furthermore, the authors studied adipogenesis by liver and adipose tissue extracts from a polar bear and three synthetic mixtures of contaminants in murine 3T3-L1 preadipocytes and polar bear adipose tissue-derived stem cells (pbASCs). PCB153 and p,p’-DDE antagonized pbPPARG, although their predicted receptor-ligand affinity was weak. PBDEs, tetrabromobisphenol A, and PCB170 had a weak agonistic effect on pbPPARG, while hexabromocyclododecane, bisphenol A, oxychlordane, and endosulfan were weak antagonists. pbPPARG-mediated luciferase activity was suppressed by synthetic contaminant mixtures reflecting levels measured in polar bear adipose tissue, as were transcript levels of PPARG and the PPARG target gene fatty acid binding protein 4 (FABP4) in pbASCs. Contaminant extracts from polar bear tissues enhanced triglyceride accumulation in murine 3T3-L1 cells and pbASCs, whereas triglyceride accumulation was not affected by the synthetic mixtures Chem. characterization of extracts using non-target methods revealed presence of exogenous compounds that have previously been reported to induce adipogenesis. These compounds included phthalates, tonalide, and nonylphenol. In conclusion, major legacy contaminants in polar bear adipose tissue exert antagonistic effects on PPARG, but adipogenesis by a mixture containing emerging compounds may be enhanced through PPARG or other pathways.

Environmental Science & Technology published new progress about 1139-46-4. 1139-46-4 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Phenol, name is 4-(2,4,4-Trimethylpentan-2-yl)benzene-1,2-diol, and the molecular formula is C14H22O2, Related Products of alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts