Author: tianli

Brand, N. published the artcilePrimary mechanism in the degradation of 4-octylphenol photoinduced by Fe(III) in water-acetonitrile solution, Name: 4-(2,4,4-Trimethylpentan-2-yl)benzene-1,2-diol, the publication is Journal of Photochemistry and Photobiology, A: Chemistry (2000), 135(2-3), 221-228, database is CAplus.

The degradation of 4-octylphenol (4-OP), a toxic and persistent product in the environment, photoinduced by Fe(III) was studied in water/acetonitrile solution (95/5 by volume). The initial rate of 4-OP degradation depends on the irradiation wavelength and on the initial concentration of Fe(OH)²⁺, the monomeric species present in our exptl. conditions. Several photoproducts were identified among them 4-(1,1,3,3-tetramethylbutyl)pyrocatechol. The formation of octylphenoxyl radical was observed by fast kinetics as a result of the quenching reaction between Fe(III) species in the excited state and 4-OP. For longer irradiation times, regeneration of the monomeric species, Fe(OH)²⁺, is suggested due to Fe(II) reoxidation by radicals.

Journal of Photochemistry and Photobiology, A: Chemistry 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, Name: 4-(2,4,4-Trimethylpentan-2-yl)benzene-1,2-diol.

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

Speckmeier, Elisabeth published the artcileART – An Amino Radical Transfer Strategy for C(sp²)-C(sp³) Coupling Reactions, Enabled by Dual Photo/Nickel Catalysis, Application of 2-(2,3-Dihydro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, the publication is Journal of the American Chemical Society (2022), 144(22), 9997-10005, database is CAplus and MEDLINE.

Introducing the novel concept of amino radical transfer (ART) enabled the use of easily accessible and com. available alkyl boronic esters as cross coupling partners for aryl halides in dual photoredox/nickel catalysis mediated by visible light. Activation of otherwise photochem. innocent boronic esters by radicals generated from primary or secondary alkylamines gaves rise to an outstanding functional group tolerance in a mild, fast and air stable reaction. As shown in more than 50 examples including unprotected alcs., amines and carboxylic acids, ArR [Ar = 4-MeOC₆H₄, 4-MeC(O)HNC₆H₄, 3-pyridyl, etc.; R = cyclohexyl, 1-tert-butoxycarbonyl-4-piperidyl, Bn, etc.] this reaction allowed to quickly build up relevant scaffolds for organic synthesis and medicinal chem. In comparison with existing methods for C(sp²)-C(sp³) couplings an extraordinary generality could be realized via the ART concept, employing a single set of optimized reaction conditions. Due to its selectivity, the transformation could also be used for late-stage functionalization, as demonstrated with three exemplary syntheses of drug mols. Furthermore, the successful one-to-one scalability of this reaction up to gram scale without the necessity of any further precautions or flow systems was demonstrated.

Journal of the American Chemical Society published new progress about 608534-44-7. 608534-44-7 belongs to alcohols-buliding-blocks, auxiliary class Other Aromatic,Boronic acid and ester,Boronate Esters,Boronic Acids,Boronic acid and ester, name is 2-(2,3-Dihydro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C18H10F3NO3S2, Application of 2-(2,3-Dihydro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

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

Dumitrescu, Lidia published the artcileSynthesis and cytotoxic activity of fluorinated analogs of Goniothalamus lactones. Impact of fluorine on oxidative processes, Safety of (E)-4,4,4-Trifluorobut-2-en-1-ol, the publication is European Journal of Medicinal Chemistry (2010), 45(7), 3213-3218, database is CAplus and MEDLINE.

Novel fluorinated analogs of goniothalamin I (R = Ph) and howiinol A II (R = Ph) were prepared from trifluorocrotonate derivatives Trifluoromethyl-goniothalamin (R/S) derivative I (R = CF₃) showed a slightly lower activity than 1, while the trifluoromethyl-howiinol A derivative II (R = CF₃) exhibited similar activities on several cell lines in the micromolar range. Unlike (R)-goniothalamin and howiinol A, trifluoromethyl parent compounds remained unchanged when submitted to biomimetic oxidative systems.

European Journal of Medicinal Chemistry published new progress about 83706-94-9. 83706-94-9 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is (E)-4,4,4-Trifluorobut-2-en-1-ol, and the molecular formula is C4H5F3O, Safety of (E)-4,4,4-Trifluorobut-2-en-1-ol.

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

Hoque, Anamul Md. published the artcileModes of interaction and thermodynamic behavior of aggregation of CTAB + BSA mixtures in diols media: effects of diols composition and temperature, Category: alcohols-buliding-blocks, the publication is Chemical Engineering Communications, database is CAplus.

The micellization of cetyltrimethylammonium bromide (CTAB) and bovine serum albumin (BSA) mixture has been studied conductometrically in aqueous solutions of different diols (1,2-propanediol (1,2-PrD), 2,3-butanediol (2,3-BD), and 1,5-pentanediol (1,5-PD)) media over the temperature range from 298.15 K to 323.15 K to gain insight into the mode and degree of interaction amongst the investigated constituents. The critical micelle concentration (cmc) values of the CTAB + BSA mixtures were attained initially low but enhanced with the rise in temperature in all the media studied. The values of the CTAB + BSA mixtures in the different diols media followed the order: The degree of micelle ionization (α) increased with increasing carbon chain length of diols and temperature The Gibbs free energy values associated with the micellization of the CTAB + BSA mixture were neg. and revealed a lowering of the spontaneity of micellization with increasing carbon chain length of the diols. The enthalpy and entropy changes of micellization revealed that the micellization was exothermic and mainly an enthalpy-controlled process in aqueous 1,2-PrD and 2,3-BD media while the process being endothermic, and entropy controlled in the 1,5-PD medium. The contribution of the solvent to the thermodn. parameters was assessed from free energy of transfer, enthalpy of transfer, and entropy of transfer values. The enthalpy-entropy compensation parameters were also studied and discussed with proper reasoning.

Chemical Engineering Communications published new progress about 111-29-5. 111-29-5 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ploymers, name is Pentane-1,5-diol, and the molecular formula is C5H12O2, Category: alcohols-buliding-blocks.

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

Amitrano, Alice published the artcileEstrogenic activity of lignin-derivable alternatives to bisphenol A assessed via molecular docking simulations, Synthetic Route of 645-56-7, the publication is RSC Advances (2021), 11(36), 22149-22158, database is CAplus and MEDLINE.

Lignin-derivable bisphenols are potential alternatives to bisphenol A (BPA), a suspected endocrine disruptor; however, a greater understanding of structure-activity relationships (SARs) associated with such lignin-derivable building blocks is necessary to move replacement efforts forward. This study focuses on the prediction of bisphenol estrogenic activity (EA) to inform the design of potentially safer BPA alternatives. To achieve this goal, the binding affinities to estrogen receptor alpha (ERα) of lignin-derivable bisphenols were calculated via mol. docking simulations and correlated to median effective concentration (EC50) values using an empirical correlation curve created from known EC50 values and binding affinities of com. (bis)phenols. Based on the correlation curve, lignin-derivable bisphenols with binding affinities weaker than ∼-6.0 kcal mol-1 were expected to exhibit no EA, and further anal. suggested that having two methoxy groups on an aromatic ring of the bio-derivable bisphenol was largely responsible for the reduction in binding to ERα. Such dimethoxy aromatics are readily sourced from the depolymerization of hardwood biomass. Addnl., bulkier substituents on the bridging carbon of lignin-bisphenols, like di-Et or dimethoxy, were shown to weaken binding to ERα. And, as the bio-derivable aromatics maintain major structural similarities to BPA, the resultant polymeric materials should possess comparable/equiv thermal (e.g., glass transition temperatures, thermal decomposition temperatures) and mech. (e.g., tensile strength, modulus) properties to those of polymers derived from BPA. Hence, the SARs established in this work can facilitate the development of sustainable polymers that maintain the performance of existing BPA-based materials while simultaneously reducing estrogenic potential.

RSC Advances published new progress about 645-56-7. 645-56-7 belongs to alcohols-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 4-Propylphenol, and the molecular formula is C9H12O, Synthetic Route of 645-56-7.

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

Polucci, Paolo published the artcileAlkylsulfanyl-1,2,4-triazoles, a New Class of Allosteric Valosine Containing Protein Inhibitors. Synthesis and Structure-Activity Relationships, Recommanded Product: (4-(Methoxycarbamoyl)phenyl)boronic acid, the publication is Journal of Medicinal Chemistry (2013), 56(2), 437-450, database is CAplus and MEDLINE.

Valosine containing protein (VCP), also known as p97, is a member of AAA ATPase family that is involved in several biol. processes and plays a central role in the ubiquitin-mediated degradation of misfolded proteins. VCP is an ubiquitously expressed, highly abundant protein and has been found overexpressed in many tumor types, sometimes associated with poor prognosis. In this respect, VCP has recently received a great deal of attention as a potential new target for cancer therapy. In this paper, the discovery and structure-activity relationships of alkylsulfanyl-1,2,4-triazoles, a new class of potent, allosteric VCP inhibitors, are described. Medicinal chem. manipulation of 3-(isopropylthio)-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole, identified via HTS, led to the discovery of potent and selective inhibitors with submicromolar activity in cells and clear mechanism of action at consistent doses. This represents a first step toward a new class of potential anticancer agents.

Journal of Medicinal Chemistry published new progress about 850568-17-1. 850568-17-1 belongs to alcohols-buliding-blocks, auxiliary class Boronic acid and ester,Amine,Benzene,Amide,Boronic Acids, name is (4-(Methoxycarbamoyl)phenyl)boronic acid, and the molecular formula is C8H10BNO4, Recommanded Product: (4-(Methoxycarbamoyl)phenyl)boronic acid.

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

Melough, Melissa M. published the artcileDiet quality and exposure to endocrine-disrupting chemicals among US adults, Quality Control of 80-09-1, the publication is Environmental Research (2022), 113049, database is CAplus and MEDLINE.

Human exposure to endocrine-disrupting chems. (EDCs) may increase risk for chronic disease. Diet is a significant source of EDC exposure, yet healthy diets recommended for chronic disease prevention have not been thoroughly examined for associations with EDC exposure. Using data from the National Health and Nutrition Examination Survey 2013-2016, we examined associations of dietary patterns with exposure to non-persistent EDCs potentially consumed through diet. EDCs were measured in spot urine samples. Diet was assessed using 24-h recalls. Multivariable linear regression was used to examine associations of three healthy diet scores [Healthy Eating Index (HEI), relative Mediterranean Diet (rMED), and Dietary Approaches to Stop Hypertension] and fast-food consumption with EDCs. In fully adjusted models, no diet was associated with exposure to the bisphenols, phthalates, or polycyclic aromatic hydrocarbons examined A 1-point increase in rMED (of 18 possible points) was associated with 2.7% (95% CI: 1.7%, 3.8%) greater urinary nitrate. A 10-point increase in HEI (of 100 possible points) was associated with 5.3% (95% CI: 2.8%, 7.9%) greater nitrate and 6.8% (95% CI: 4.5%, 9.2%) greater perchlorate. Because perchlorate and nitrate can disrupt thyroid hormone production, we conducted an exploratory anal. to examine whether these chems. mediate an association between diet and thyroid hormones. A 10-point increase in HEI was associated with 0.6% reduced serum total thyroxine (95% CI: 1.7%, 0.5%) among all adults, with 57.5% of the effect explained by perchlorate. Nitrate mediated an association of rMED with modestly reduced total triiodothyronine among females. Most EDCs examined had no association with the diets evaluated, indicating that recommended healthy diets were not protective against EDC exposures. As observed with two thyroid antagonists, some recommended diets may increase EDC exposures and related adverse health outcomes. Addnl. work should identify effective food production and processing practices to reduce dietary exposures to potentially harmful EDCs.

Environmental Research published new progress about 80-09-1. 80-09-1 belongs to alcohols-buliding-blocks, auxiliary class Ploymers, name is 4,4′-Sulfonyldiphenol, and the molecular formula is C12H10O4S, Quality Control of 80-09-1.

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

Schaffert, Lena published the artcileEvaluation of vector systems and promoters for overexpression of the acarbose biosynthesis gene acbC in Actinoplanes sp. SE50/110, Name: Triisopropanolamine, the publication is Microbial Cell Factories (2019), 18(1), 1-16, database is CAplus and MEDLINE.

Background: Actinoplanes sp. SE50/110 is a natural producer of acarbose. It has been extensively studied in the last decades, which has led to the comprehensive anal. of the whole genome, transcriptome and proteome. First genetic and microbial techniques have been successfully established allowing targeted genome editing by CRISPR/Cas9 and conjugal transfer. Still, a suitable system for the overexpression of singular genes does not exist for Actinoplanes sp. SE50/110. Here, we discuss, test and analyze different strategies by the example of the acarbose biosynthesis gene acbC. Results: The integrative φC31-based vector pSET152 was chosen for the development of an expression system, as for the replicative pSG5-based vector pKC1139 unwanted vector integration by homologous recombination was observed Since simple gene duplication by pSET152 integration under control of native promoters appeared to be insufficient for overexpression, a promoter screening experiment was carried out. We analyzed promoter strengths of five native and seven heterologous promoters using transcriptional fusion with the gusA gene and glucuronidase assays as well as reverse transcription quant. This system will help altering transcript amounts of singular genes, that can be used to unclench metabolic bottlenecks and to redirect metabolic resources. Furthermore, an essential tool is provided, that can be transferred to other subspecies of Actinoplanes and industrially relevant derivatives

Microbial Cell Factories published new progress about 122-20-3. 122-20-3 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment, name is Triisopropanolamine, and the molecular formula is C9H21NO3, Name: Triisopropanolamine.

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

Otsuka, M. published the artcileDevelopmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate, HPLC of Formula: 111011-76-8, the publication is CrystEngComm (2015), 17(38), 7430-7436, database is CAplus.

Efonidipine hydrochloride ethanolate (NZ-105) is a novel 1,4-dihydropyridine derivative and Ca antagonist. Its chem. structure is distinctive, being a solvate composed of an equimolar adduct of ethanol and efonidipine hydrochloride, and it represents one of a few cases of solvates marketed as a pharmaceutical drug. The research presented in this paper used methods to assess its solid-state properties and included thermal anal. (thermogravimetry-DTA, TG-DTA), Fourier transform IR spectroscopy (FT/IR), evolved gas anal.-mass spectrometry (EGA-MS), environmental (low-vacuum) SEM (E-SEM), variable temperature powder X-ray diffraction, and single-crystal X-ray structure anal., in order to clarify the thermal behavior of the hydrogen chloride and ethanol adducts of efonidipine in the study of the thermal stability of efonidipine hydrochloride ethanolate. Upon heating, efonidipine hydrochloride ethanolate first released ethanol and subsequently formed a decomposition product with the elimination of chloride ions. X-ray diffraction patterns and particulate forms were markedly altered after the release of ethanol, which suggested the interaction of ethanol mols. with chloride ions and efonidipine mols. within the crystal structure. Vastly different from efonidipine, the crystal structure of efonidipine hydrochloride ethanolate arranges the chloride ion within a basket-type conformation formed by the bulky di-Ph and phosphate groups. This distinctive crystal structure was thought to suppress the elimination of chloride ions and contribute significantly to the improved thermal stability of the compound

CrystEngComm published new progress about 111011-76-8. 111011-76-8 belongs to alcohols-buliding-blocks, auxiliary class Membrane Transporter/Ion Channel,Calcium Channel, name is 2-(Benzyl(phenyl)amino)ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate ethanol hydrochloride, and the molecular formula is C36H45ClN3O8P, HPLC of Formula: 111011-76-8.

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

Shu, Chao published the artcilePhotoinduced Fragmentation Borylation of Cyclic Alcohols and Hemiacetals, Quality Control of 20117-47-9, the publication is Organic Letters (2020), 22(18), 7213-7218, database is CAplus and MEDLINE.

A visible-light photoinduced fragmentation borylation of O-phthalimido cycloalkanols with bis(catecholato)diboron is described. Structurally diverse keto and formyloxy alkyl boronic esters are conveniently prepared by radical-mediated ring-opening of cyclic alcs. and hemiacetals, resp. The reactions proceed under mild conditions in the absence of additives or photocatalysts, display excellent functional group tolerance, and allow cleavage of 4-, 5-, 6-, and 7-membered ring substrates. The mechanism proceeds via sequential homolytic N-O and C-C bond cleavages, the latter of which involves β-scission of an alkoxy radical, generating a carbonyl and an alkyl radical that is trapped by the diboron reagent. Spectroscopic studies suggest direct photoexcitation of either the phthalimide or diboron substrates with blue-light can initiate a radical chain mechanism.

Organic Letters published new progress about 20117-47-9. 20117-47-9 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic cyclic hydrocarbon,Alcohol, name is 1-Methylcyclobutan-1-ol, and the molecular formula is C8H6ClNO, Quality Control of 20117-47-9.

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