Tag: M.W=250-300

Arnett, Edward M. published the artcileTriarylmethanes and 9-arylxanthenes as prototypes amphihydric compounds for relating the stabilities of cations, anions and radicals by C-H bond cleavage and electron transfer, Synthetic Route of 596-38-3, the publication is Journal of Physical Organic Chemistry (1997), 10(7), 499-513, database is CAplus.

Thermodn. stability properties of 11 p-substituted trityl and seven 9-phenylxanthyl carbocations are reported in sulfolane and of their conjugate carbanions in DMSO. The cations are compared by calorimetric heats of hydride transfer from cyanoborohydride ion, their first and second reduction potentials, their pK_R⁺s in aqueous sulfuric acid, ¹³C chem. shifts and free energies of methoxy exchange. Carbanions are compared by their heats and free energies (pK_HA) of deprotonation and their first and second oxidation potentials. Radicals are compared by their oxidation and reduction potentials. Their bond dissociation energies are derived by alternative routes: from the carbocation and its reduction potential and from the carbanion and its oxidation potential. The various properties are correlated against each other and against appropriate Hammett-type substituent parameters. Correlations between the different measured properties reported here range from fair to excellent. Despite their importance as historic prototypes for the three trivalent oxidation states of carbon, trityl and xanthyl systems are atypical models for comparing transmission of electron demand in other series of carbocations, radicals or carbanions with significantly different structures. The 9-arylxanthyl series is especially poor because of its insensitivity to substituent effects. The effects of substituents on various properties which represent the stabilities of R⁺s correlate surprisingly well against those for corresponding R^–s. Accordingly, compensating effects on the oxidation and reduction of a series of related R^.s may lead to a nearly constant electron transfer energy and absolute hardness for the series. In contrast, the free energies for interconversion of the carbocations and carbanions which determine the gap between pK_R+ and pK_HA are very sensitive to structural change.

Journal of Physical Organic Chemistry published new progress about 596-38-3. 596-38-3 belongs to alcohols-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Benzene,Alcohol, name is 9-Phenyl-9H-xanthen-9-ol, and the molecular formula is C19H14O2, Synthetic Route of 596-38-3.

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

Wang, Ruihua published the artcileThe bisphenol F and bisphenol S and cardiovascular disease: results from NHANES 2013-2016, Quality Control of 80-09-1, the publication is Environmental Sciences Europe (2022), 34(1), 4, database is CAplus.

Bisphenol F (BPF) and bisphenol S (BPS) have replaced bisphenol A (BPA) in the manufacturing of products containing polycarbonates and epoxy resins; however, the effects of these substitutes on the risk of cardiovascular disease (CVD), including congestive heart failure, coronary heart disease, angina pectoris, heart attack, and stroke, have not been assessed. To examine the association of urinary BPS and BPF with CVD risk in a U.S. representative U.S. population. Cross-sectional data from 1267 participants aged 20-80 years from the 2013-2016 National Health and Nutrition Examination Survey (NHANES) were analyzed. Survey-weighted multiple logistic regression was used to assess the association between BPA, BPF, BPS and CVD. The Bayesian kernel machine regression (BKMR) model was applied to assess the mixture effect. A total of 138 patients with CVD were identified. After adjusting for potential confounding factors, the T3 tertile concentration of BPS increased the risk of total CVD (OR: 1.99, 95% CI 1.16-3.40). When stratified by age, we found that BPS increased the risk of CVD in the 50-80 age group (OR: 1.40, 95% CI 1.05-1.87). BPS was pos. associated with the risk of coronary heart disease, and the T3 tertile concentration of BPS increased the coronary heart disease risk by 2.22 times (95% CI 1.04-4.74). No significant association was observed between BPF and CVD. Although the BKMR model did not identify the mixed exposure effect of BPS, the risk of CVD increased with increasing compound concentration Our results suggest that BPS may increase the risk of total CVD and coronary heart disease in the US population, and prospective studies are needed to confirm the results.

Environmental Sciences Europe 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 C19H14O2, Quality Control of 80-09-1.

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

Burba, Christopher M. published the artcileThe Effect of Fluorinated Solvents on the Physicochemical Properties, Ionic Association, and Free Volume of a Prototypical Solvate Ionic Liquid, Safety of 2,2′-((Perfluoroethane-1,2-diyl)bis(oxy))bis(2,2-difluoroethanol), the publication is ChemPhysChem (2022), 23(4), e202100548, database is CAplus and MEDLINE.

Solvate ionic liquid (SIL) synthesis and properties depend on a delicate balancing of cation-solvent and cation-anion interactions to produce materials containing only cation-solvent complexes and solvent-separated anions. Most SILs meeting these characteristics fall within the paradigm of oligomeric ethylene oxides (e.g. glymes and glycols) and lithium salts. Targeted functionalization of solvent mols. to achieve desired properties is a relatively unexplored avenue of research. Fluorinated solvents have significantly different elec. charge distributions compared to their nonfluorinated analogs. We test the impact of solvent fluorination for a SIL created from equimolar mixtures of lithium bis(trifluoromethylsulfonyl)imide (LiNTf₂) and triethylene glycol (TEG), hereafter [(TEG)₁Li]NTf₂. In the first experiment, TEG is partially substituted with 2,2,4,4,5,5,7,7-octafluoro-3,6-dioxaoctane-1,8-diol (FTEG). This leads to a precipitous decrease in ionic conductivity and larger quantities of ionically-associated Li(NTf₂)₂^– species, as detected with vibrational spectroscopy. These observations suggest FTEG does not readily coordinate Li⁺ ions in a manner analogous to TEG. Computational studies reinforce this conclusion. Relative complex cation stabilities are ranked as [(FTEG)₁Li]⁺ > [(TEG)₁Li]⁺. A second experiment adds FTEG as a diluent to [(TEG)₁Li]NTf₂. This places FTEG and TEG in competition to coordinate a limited number of Li⁺ ions. The resulting mixtures exhibit conductivity enhancement over the parent SIL and minimal changes in ion speciation due to the poor Li⁺ binding by FTEG compared to TEG. Positron annihilation lifetime spectroscopic studies point to increased amounts of free volume upon dilution of FTEG. This likely explains the origin of the conductivity and viscosity enhancements.

ChemPhysChem published new progress about 129301-42-4. 129301-42-4 belongs to alcohols-buliding-blocks, auxiliary class Fluoride,Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2,2′-((Perfluoroethane-1,2-diyl)bis(oxy))bis(2,2-difluoroethanol), and the molecular formula is C6H6F8O4, Safety of 2,2′-((Perfluoroethane-1,2-diyl)bis(oxy))bis(2,2-difluoroethanol).

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

Aki, Sudhir N. V. K. published the artcileGeneration of Xanthenium and 9-Phenylxanthenium Carbocations in Subcritical Water and Reactivity with Amylamine, Product Details of C19H14O2, the publication is Journal of Physical Chemistry A (2001), 105(34), 8046-8052, database is CAplus.

The ability of subcritical water to support ionic chem. is evident from the successful generation of 9-R-xanthenium (R = H and C₆H₅) carbocations at temperatures up to 330° from their resp. alc. precursors using laser flash photolysis. The intrinsic carbocation decay in the solvent was found to follow simple Arrhenius behavior at all temperatures, from ambient up to 330 °C. In addition, we determined the bimol. rate constants for the reactions of xanthenium cation and 9-phenylxanthenium cations with amylamine, a neutral nucleophile. The activation energies of the two reactions were 21.6 ± 1.2 kJ mol^-1 and 18.2 ± 3.9 kJ mol^-1, resp. More importantly, we found that the rate equations determined at high temperatures extrapolated extremely well to ambient conditions. Thus, we conclude that for ion/neutral isoCoulombic reactions, it would be reasonable to use low-temperature Arrhenius parameters to predict the rate constants in water at higher temperatures Finally, we found that the effect of pressure on the bimol. rate constants at 22-330° was negligible.

Journal of Physical Chemistry A published new progress about 596-38-3. 596-38-3 belongs to alcohols-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Benzene,Alcohol, name is 9-Phenyl-9H-xanthen-9-ol, and the molecular formula is C19H14O2, Product Details of C19H14O2.

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

Wang, Qiuxu published the artcileSimultaneous determination of seven bisphenol analogues in surface water by solid-phase extraction and ultra-performance liquid chromatography-tandem mass spectrometry, Quality Control of 80-09-1, the publication is Microchemical Journal (2022), 107098, database is CAplus.

For the simultaneous determination of seven types of bisphenol analogs (BPs) in surface water, a method combining solid-phase extraction (SPE) with ultra-performance liquid chromatog.-tandem mass spectrometry (UPLC-MS/MS) was developed. The extraction efficiency was improved by optimizing the parameters that affect it, including the sorbent types of SPE cartridge, pH, enrichment factor, flow rate, rinsing and elution volume On the basis of the single factor experiments, an attempt to obtain the result of optimizing by response surface methodol. was made, and the optimal parameters were as follows: at a flow rate of 8 mL/min, 1000 mL of water sample was run through the hydrophilic-lipophilic balance cartridge, rinsed with 10% methanol, eluted with 9 mL methanol, and concentrated with nitrogen using an automatic SPE system. The analytes were separated on an Acquity UPLC BEH C18 column using gradient elution with a mobile phase of acetonitrile and 0.05% (volume/volume) ammonia, and then analyzed using UPLC-MS/MS with multiple reaction monitoring in the neg.-ion mode, with an 8-min chromatog. run time. In the range of 1.0-500μg/L, seven BPs showed good linearity with the correlation coefficient greater than 0.998. The recovery ranged from 82.3 to 96.7%, and the range of matrix effect was 89.2 to 107%. These results indicated excellent recovery and minimal matrix effect. The limits of detection were 0.05-1.5 ng/L, the relative standard deviation ranged from 2.9 to 8.5%. Applying the developed method, seven BPs in Luoma Lake and its inflow rivers were analyzed. Only five BPs were detected in Luoma Lake and four BPs were detected in inflow rivers, and the concentrations of the detected BPs were determined BPA and BPF were the predominant BPs, and the concentration of BPA was the highest.

Microchemical Journal 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 C8H6ClF3, Quality Control of 80-09-1.

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

Li, Shihuan published the artcileHollow fiber membrane-protected amino/hydroxyl bifunctional microporous organic network fiber for solid-phase microextraction of bisphenols A, F, S, and triclosan in breast milk and infant formula, Safety of 4,4′-Sulfonyldiphenol, the publication is Food Chemistry (2022), 133217, database is CAplus and MEDLINE.

Bisphenols and triclosan have been used in various products, and exposure to these chems. may affect human health. The present study proposes a sensitive method for the determination of bisphenols A, F, S, and triclosan. The fiber was coated by amino/hydroxyl bifunctional microporous organic network and protected by polyvinylidene fluoride hollow fiber membrane for direct immersion solid phase microextraction The limit of detection was 0.005μg/L (μg/kg), and the recoveries were in the range of 76.7% to 107.5% (87.4% to 107.6%) for breast milk (infant formula), with intra-day and inter-day precisions <10.5% (7.3%) and 13.6% (8.4%), resp. Fiber-to-fiber reproducibility of < 9.5% and a lifespan of >100 cycles were obtained. The 95th percentile estimated daily intake of total bisphenols was close to temporary tolerable daily intake for infants fed by human milk, which highlighted the needs for further attention on human exposure to BPA and its substitutes.

Food Chemistry 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, Safety of 4,4′-Sulfonyldiphenol.

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

Luk’yanov, S. M. published the artcileConversion of 1,3-benzodioxans into xanthene derivatives, Recommanded Product: 9-Phenyl-9H-xanthen-9-ol, the publication is Zhurnal Organicheskoi Khimii (1978), 14(2), 399-401, database is CAplus.

Treatment of dioxanes I (R = Ph, Me) with Ph₃C⁺ClO^–₄ in HOAc gave 21-62.8% II, which was also prepared by reaction of o-HOC₆H₄CPh₂OH with Ph₃C⁺ClO₄^– or HClO₄. Treatment of II with BrCH₂CO₂Et and Zn gave 93% III (R¹ = CH₂CO₂Et) III (R¹ = p-H₂NC₆H₄, p-Me₂NC₆H₄, EtO) were also prepared

Zhurnal Organicheskoi Khimii published new progress about 596-38-3. 596-38-3 belongs to alcohols-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Benzene,Alcohol, name is 9-Phenyl-9H-xanthen-9-ol, and the molecular formula is C19H14O2, Recommanded Product: 9-Phenyl-9H-xanthen-9-ol.

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

Hammad, M. published the artcileSynthesis of some new pyrazolones and benzimidazole acetonitriles derived from xanthene, Product Details of C19H14O2, the publication is Egyptian Journal of Chemistry (1987), 29(6), 617-22, database is CAplus.

Cyclizations of α-cyano xanthenyl hydrazides I [R = H, Me, PhCH₂, Ph, 4-MeC₆H₄; R¹ = CH(CN)CONHNH₂] gave xanthenylpyrazolones II. Condensation of xanthenol I (R same as above, R¹ = OH) with benzimidazol-2-ylacetonitrile gave benzimidazolylxanthenylacetonitriles III.

Egyptian Journal of Chemistry published new progress about 596-38-3. 596-38-3 belongs to alcohols-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Benzene,Alcohol, name is 9-Phenyl-9H-xanthen-9-ol, and the molecular formula is C19H14O2, Product Details of C19H14O2.

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

Horakova, Eva published the artcileSynthesis and in vitro evaluation of novel N-cycloalkylcarbamates as potential cholinesterase inhibitors, Application of ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, the publication is Monatshefte fuer Chemie (2017), 148(12), 2143-2153, database is CAplus.

Abstract: This present paper describes the preparation and characterization of a series of O-substituted N-cycloalkylcarbamate derivatives These compounds were tested as inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). All studied carbamates exhibited moderate inhibitory activity of both cholinesterases with values of IC₅₀ in the range of 36.1-78.6 μM for AChE and 9.8-215.4 μM for BChE, resp. These values are comparable with those values of inhibition obtained with the established drug rivastigmine. The cytotoxicity of all carbamates was evaluated using standard in vitro test with Jurkat cells. Many of the studied carbamates can be considered as promising compounds for potential medicinal applications with regard to their inhibitory activity as well as negligible cytotoxicity. Graphical abstract: [Figure not available: see fulltext.].

Monatshefte fuer Chemie published new progress about 20880-92-6. 20880-92-6 belongs to alcohols-buliding-blocks, auxiliary class Other Aliphatic Heterocyclic,Chiral,Alcohol, name is ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, and the molecular formula is C12H20O6, Application of ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol.

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

Huang, Yongliang published the artcileConvenient and flexible syntheses of gem-dimethyl carboxylic triggers via mono-selective β-C(sp³)-H arylation of pivalic acid with ortho-substituted aryl iodides, Computed Properties of 20880-92-6, the publication is Organic Chemistry Frontiers (2022), 9(12), 3293-3300, database is CAplus.

This work presents a palladium(II)-catalyzed mono-selective C(sp³)-H arylation of pivalic acid for rapid construction of an important library of 3-aryl-2,2-dimethylpropanoic acids, especially ortho-substituted-aryl compounds The strategy greatly streamlines access to a series of trimethyl-lock-type triggers – arylated gem-di-Me carboxylic acids bearing ortho-activatable substituents, which was used as a self-immolative spacer for selective chem. release initiated under specific conditions. Flexible transformation and derivatization of these activatable carboxylic triggers were also showcased.

Organic Chemistry Frontiers published new progress about 20880-92-6. 20880-92-6 belongs to alcohols-buliding-blocks, auxiliary class Other Aliphatic Heterocyclic,Chiral,Alcohol, name is ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, and the molecular formula is C12H20O6, Computed Properties of 20880-92-6.

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