Month: December 2022

Van Zandt, Michael C. published the artcileDesign and synthesis of highly potent and selective (2-arylcarbamoyl-phenoxy)-acetic acid inhibitors of aldose reductase for treatment of chronic diabetic complications, SDS of cas: 147181-08-6, the publication is Bioorganic & Medicinal Chemistry (2004), 12(21), 5661-5675, database is CAplus and MEDLINE.

Recent efforts to identify treatments for chronic diabetic complications have resulted in the discovery of a novel series of highly potent and selective (2-arylcarbamoyl-phenoxy)-acetic acid aldose reductase inhibitors. The compound class features a core template that utilizes an intramol. hydrogen bond to position the key structural elements of the pharmacophore in a conformation, which promotes a high binding affinity. The lead candidate, I, 5-fluoro-2-(4-bromo-2-fluoro-benzylthiocarbamoyl)-phenoxyacetic acid, inhibits aldose reductase with an IC₅₀ of 30 nM, while being 1100 times less active against aldehyde reductase, a related enzyme involved in the detoxification of reactive aldehydes. In addition, I lowers nerve sorbitol levels with an ED₅₀ of 31 mg/kg/d po in the 4-day STZ-induced diabetic rat model.

Bioorganic & Medicinal Chemistry published new progress about 147181-08-6. 147181-08-6 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Salt,Amine,Benzene, name is (4-Bromo-2-fluorophenyl)methanamine hydrochloride, and the molecular formula is C4H6O3, SDS of cas: 147181-08-6.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Shtark, A. A. published the artcileAction of electrophilic agents on polyfluoro aromatic compounds. XIII. Nitrofluorination of hexafluorobenzene and the compounds C6F5X (X = hydrogen, chlorine, bromine). Orienting effect of the substituents X and relative stability of corresponding monosubstituted hexafluorobenzenonium ions, COA of Formula: C6HBrF4O, the publication is Zhurnal Organicheskoi Khimii (1976), 12(7), 1499-508, database is CAplus.

In HNO3-HF solution C6F5R (R = H, F, Cl, Br) add NO2+ and F- in positions para to each other. When R = H, Cl, or Br, the NO2+ enters meta to R. This orientation reflects the stability of the benzenonium ion when R = H but not when R = Cl or Br.

Zhurnal Organicheskoi Khimii published new progress about 1998-61-4. 1998-61-4 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzene,Phenol, name is 4-Bromo-2,3,5,6-tetrafluorophenol, and the molecular formula is C12H9NO, COA of Formula: C6HBrF4O.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Akhmetova, N. E. published the artcileAction of electrophilic agents on polyfluoro aromatic compounds. VII. Reaction of polyfluorinated phenols, naphthols, and their alkali metal salts with chlorine and bromine, Category: bromides-buliding-blocks, the publication is Zhurnal Organicheskoi Khimii (1973), 9(6), 1218-27, database is CAplus.

C6F5OH was unreactive toward Cl or Br in HOAc, aqueous HOAc, or H2O-Et2O at -10 to 0°. Anhydrous C6F5OK and Br in CCl4 yielded 44% 4-bromoperfluorocyclohexadienone (I, X = Br), which gave C6F5OH with Na2S2O3 or HBr; C6F5OK.2H2O gave I (X = Br, Cl) and their 2-haloisomers (II, X = Br, Cl) with Br in CCl4 and Cl in CH2Cl2, resp., with II predominating in both cases. 1-HOC10F7 yielded 87% 1-oxo-4-bromoperfluoro-1,4-dihydronaphthalene (III, X = Br) with Br in aqueous HOAc and a mixture of III (X = Cl) and its 2-chloro isomer (IV, X = Cl) with Cl in aqueous HOAc. 2-HOC10F7 and 2-KOC10F7 gave the resp. 2-oxo-1-haloperfluoro-1,4-dihydronaphthalenes (V) under identical conditions. 1-KOC10F7 and Br in CH2Cl2 gave III and IV (X = Br), with the latter predominating; IV (X = Br) was converted to III (X = Br) on standing. The III-IV ratio in the reaction products of 1-KOC10F7 with Br increased in the order of increasing solvent polarity: CCl4 < CH2Cl2 < MeNO2 < aqueous HOAc. 4-RC6F4OK hydrate (VI, R = Br) reacted with Cl in CCl4 to give 81% of the corresponding 2-chlorocyclohexadienones (VII). VI (R = H) gave 38% 4-BrC6F4OH with Br in CH2Cl2 via the corresponding intermediate 4-bromocyclohexadienone (VIII). VI (R = Me) treated with Br in CCl4 and Cl in CH2Cl2 gave the resp. VII and VIII, with VII predominating.

Zhurnal Organicheskoi Khimii published new progress about 1998-61-4. 1998-61-4 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzene,Phenol, name is 4-Bromo-2,3,5,6-tetrafluorophenol, and the molecular formula is C6HBrF4O, Category: bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Sen, Choong Ping published the artcileLow-Band-Gap BODIPY Conjugated Copolymers for Sensing Volatile Organic Compounds, SDS of cas: 52431-30-8, the publication is Chemistry – A European Journal (2015), 21(48), 17344-17354, database is CAplus and MEDLINE.

Conjugated polymers with strong photophys. properties were used in many applications. A homopolymer (P1) and five new low band gap copolymers based on 4,4′-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) and acceptors 3,6-dithienyldiketopyrrolopyrrole (P2), phthalimide (P3), benzotriazole (P4), 4,7-dithienyl[1,2,3]triazolo[4,5g]quinoxaline (P5), and 2,5-dithienylthieno[3,4-b]pyrazine (P6) were prepared by Sonogashira polymerization The characterization of polymers by using ¹H NMR, absorption, and emission spectroscopy is discussed. All polymers with high mol. weights (M_n) of 16,000 to 89,000 g mol^-1 showed absorption maxima in the deep-red region (λ=630-760 nm) in solution and exhibited significant red shifts (up to 70 nm) in thin films. Polymers P2, P5, and P6 showed narrow optical band gaps of 1.38, 1.35, and 1.38 eV, resp., which are significantly lower than that of P1 (1.63 eV). The HOMO and LUMO energy levels of the polymers were calculated by using cyclic voltammetry measurements. The LUMO energy levels of BODIPY-based alternating copolymers were independent of the acceptors; probably the major factor that tunes the LUMO energy levels of the polymers could be the BODIPY core. All polymers showed selective and reproducible detection of volatile organic solvents, such as toluene and benzene, which could be used for developing sensors.

Chemistry – A European Journal published new progress about 52431-30-8. 52431-30-8 belongs to bromides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 2,5-Dibromo-3,4-dinitrothiophene, and the molecular formula is C9H6FNO, SDS of cas: 52431-30-8.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Lin, Po-Shen published the artcileControlled Synthesis of Poly[(3-alkylthio)thiophene]s and Their Application to Organic Field-Effect Transistors, Related Products of bromides-buliding-blocks, the publication is ACS Applied Materials & Interfaces (2021), 13(27), 31898-31909, database is CAplus and MEDLINE.

Regioregular polythiophenes have been widely used in organic electronic applications due to their solution processability with chem. modification through side chain engineering, as well as their microstructural organization and good hole transport properties. Here, we introduce alkylthio side chains, (poly[(3-alkylthio)thiophene]s; P3ATTs), with strong noncovalent sulfur mol. interactions, to main chain thienyl backbones. These P3ATTs were compared with alkyl-substituted polythiophene (poly(3-alkylthiophene); P3AT) variants such that the effects of straight (hexyl and decyl) and branched (2-ethylhexyl) side chains (with and without S atoms) on their thin-film morphologies and crystalline states could be investigated. P3ATTs with linear alkylthio side chains (P3HTT, hexylthio; P3DTT, decylthio) did not attain the expected higher organic field-effect transistor (OFET) mobilities with respect to P3HT (hexyl) and P3DT (decyl) mainly due to their lower regioregularity (76-78%), although P3ATTs exhibit an enhanced tendency for aggregation and compact mol. packing, as indicated by the red-shifting of the absorption spectra and the shortening of the π-π stacking distance, resp. Moreover, the loss of regioregularity issue can be solved by introducing more soluble 2-ethylhexylthio branched side chains to form poly[3-(2-ethylhexylthio)thiophene] (P3EHTT), which provides enhanced crystallinity and efficient charge mobility (increased by up to a factor of 3) with respect to the poly(2-ethylhexylthiophene) (P3EHT) without S atoms in the side moieties. This study demonstrates that the presence of side chain alkylthio structural motifs with nonbonded interactions in polythiophene semiconductors has a beneficial impact on the mol. conformation, morphologies, structural packing, and charge transport in OFET devices.

ACS Applied Materials & Interfaces published new progress about 303734-52-3. 303734-52-3 belongs to bromides-buliding-blocks, auxiliary class Thiophene,Bromide, name is 2-Bromo-3-(2-ethylhexyl)thiophene, and the molecular formula is C12H19BrS, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Nakanishi, Tatsuaki published the artcileSynthesis and optical properties of photovoltaic materials based on the ambipolar dithienonaphthothiadiazole unit, Related Products of bromides-buliding-blocks, the publication is Journal of Materials Chemistry A: Materials for Energy and Sustainability (2015), 3(8), 4229-4238, database is CAplus.

Dithieno[3’2′:5,6;2”,3”:7,8]naphtho[2,3-c][1,2,5]thiadiazole (DTNT) was designed to control the band energies of the polymers for photovoltaic materials. Electrochem. anal. showed that DTNT acts as both an electron donor and an electron acceptor, revealing the ambipolar nature of the DTNT unit. The direct arylation polymerization of DTNT with 2,2′-bithiophene (BTh) and 3,6-bis(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4-dione (DPP) afforded 4 polymers that differed in either the unit of copolymerization or the chosen side chains. In the PDTNT-BTh series, a shoulder absorption band was observed at a longer wavelength than the intense absorption band. The PDTNT-DPP series exhibited a narrow band gap of <1.4 eV and a low HOMO energy of -5.43 eV. An organic photovoltaic cell that contained a PDTNT-BTh polymer with 2-ethylhexyl groups and [6,6]-phenyl-C₇₁-butyric acid Me ester (PC₇₁BM) as an active layer afforded the best performance among the studied compounds, with a J_SC of 6.98 mA cm^-3, a V_OC of 0.758 V, a FF of 0.52, and a PCE of 2.76%.

Journal of Materials Chemistry A: Materials for Energy and Sustainability published new progress about 303734-52-3. 303734-52-3 belongs to bromides-buliding-blocks, auxiliary class Thiophene,Bromide, name is 2-Bromo-3-(2-ethylhexyl)thiophene, and the molecular formula is C12H19BrS, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

James, Tony D. published the artcileA saccharide ‘sponge’. Synthesis and properties of a dendritic boronic acid, Related Products of bromides-buliding-blocks, the publication is Chemical Communications (Cambridge) (1996), 705-6, database is CAplus.

Very low concentrations of D-galactose and D-fructose are bound to a dendrimer containing eight boronic acids and eight anthracene units; the binding events are sensitively monitored by changes in the fluorescence intensity.

Chemical Communications (Cambridge) published new progress about 166821-88-1. 166821-88-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Boronic acid and ester,Benzyl bromide,Benzene,Boronic Acids,Boronic acid and ester, name is 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane, and the molecular formula is C12H16BBrO2, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

James, Tony D. published the artcileA diboronic acid ‘glucose cleft’ and a biscrown ether ‘metal sandwich’ are allosterically coupled, Name: 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane, the publication is Journal of the Chemical Society, Chemical Communications (1995), 1483-5, database is CAplus.

Glucose is released from the diboronic acid ‘cleft’ I when a metal ‘sandwich’ is formed by two 15-crown-5 rings; the binding events are sensitively monitored by changes in the fluorescence intensity.

Journal of the Chemical Society, Chemical Communications published new progress about 166821-88-1. 166821-88-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Boronic acid and ester,Benzyl bromide,Benzene,Boronic Acids,Boronic acid and ester, name is 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane, and the molecular formula is C12H16BBrO2, Name: 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Jia, Lijuan published the artcileQSAR models for oxidative degradation of organic pollutants in the Fenton process, COA of Formula: C20H18BrN3, the publication is Journal of the Taiwan Institute of Chemical Engineers (2015), 140-147, database is CAplus.

Fenton oxidation is an advanced treatment process used to remove organic pollutants in wastewater. In this study, quant. structure activity relationship (QSAR) models for Fenton process were developed with reaction rate constants of organic compounds as the dependent variable. To establish optimum QSAR models, reaction rate constants of 33 kinds of organic substances were determined and 13 mol. descriptors were selected. The mol. descriptors were calculated by Hyperchem, Gaussian 09 and Dmol³ software for each organic compound The optimum QSAR model for predicting the rate constants consists of three descriptors, SAG, f(0)_n and EGAP. Among them, SAG appears most critical in determining rate constants A set of 26 compounds was used as training set to develop models and 7 compounds was used as test set for external validation. The prediction accuracy of the recommended model was tested using the leave-one-out cross validation procedure, validation through an external test set and the Y-randomization evaluation technique. The domain of applicability was finally determined to identify the reliable predictions. The results indicated that the proposed model proved to have significant predictive potential of reaction rate constants in Fenton process.

Journal of the Taiwan Institute of Chemical Engineers published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, COA of Formula: C20H18BrN3.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Kong, Shuai published the artcileFluorescently visualizing the penetration of anionic surfactants across cytoplasmic membrane and the subsequent damage on human cells, Formula: C12H25Br, the publication is Environmental Science and Pollution Research (2022), 29(14), 20593-20602, database is CAplus and MEDLINE.

The extensive application of chem. synthesized anionic surfactants would cause serious pollution of water and increase health risk to humans. However, the adverse impact of anionic surfactant on human cells has never been systematically demonstrated. In this paper, a series of fluorescent anionic surfactants containing a varying length of alkyl chain from C8 to C18 and a fixed hydrophilic head of 8-hydroxypyrene-1,3,6-trisulfonic acid trisodium salt (HPTS) were synthesized and utilized for visualizing the interaction between surfactants and cells. The obtained mols. exhibited blue fluorescence presenting a decreasing fluorescent intensity with the increasing length of alkyl chain from C8 to C18 while showed the same sequence of HPTS-C16>HPTS-C18>HPTS-C12>HPTS-C8 on either surface activity, cellular adsorption, or cytotoxicity. In opposite, HPTS which contained no hydrophobic chain and thus exhibited no surface activity showed no cellular adsorption and cytotoxicity. It seems that the ligand of the appropriate chain length (C16) onto the hydrophilic HPTS mols. could cause the largest surface activity, the most distinguished cellular adsorption as well as the most adverse cytotoxicity. As reflected by the dynamic fluorescent visualization, the surfactant mols. of HPTS-C16 initially bound with cell membrane and entered into the intracellular lumen before finally localized at the (ER) and damaged it into a swollen structure. It is most likely that the structure of hydrophobic chain could determine the surface activities of surfactants and hence affect their cellular uptake and cytotoxicity. This study could help us to understand the adverse impact of anionic surfactant on human cells and its correlation with the surface activities or, in another word, the hydrophobic chain length.

Environmental Science and Pollution Research published new progress about 143-15-7. 143-15-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromododecane, and the molecular formula is C12H25Br, Formula: C12H25Br.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary