Month: December 2022

Porzio, William published the artcileClose Packing in Crystals of Cyanophenylene/Thienylene Derivatives, COA of Formula: C20H28B2O4S2, the publication is Crystal Growth & Design (2006), 6(6), 1497-1503, database is CAplus.

A new mol., designed as a potential active material in field effect transistor (FET) devices and constituted by p-cyanophenylene and -thienylene residues, was synthesized and characterized by electrochem., photophys., and structural points of view. Its crystal structure, derived from powder XRD data, displays higher close packing as compared with mol. crystals constituted by similar residues. The crystallization aptness was demonstrated by growing solid films, from 15 nm to 2 μm thick, using high vacuum depositions, casting, and spin coating techniques. AFM study shows well formed needles, univocally oriented with respect to the substrate. The HOMO/LUMO levels, matching the electrode working function, the film orientation, and the close packing, suggest its promising use as an active layer in FET devices.

Crystal Growth & Design published new progress about 239075-02-6. 239075-02-6 belongs to alcohols-buliding-blocks, auxiliary class Thiophene,Boronic acid and ester,Boronate Esters, name is 5,5′-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2′-bithiophene, and the molecular formula is C20H28B2O4S2, COA of Formula: C20H28B2O4S2.

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

Hemelaere, Remy published the artcileIntroduction of the 4,4,4-Trifluorobut-2-ene Chain Exploiting a Regioselective Tsuji-Trost Reaction Catalyzed by Palladium Nanoparticles, Application of (E)-4,4,4-Trifluorobut-2-en-1-ol, the publication is Organic Letters (2015), 17(7), 1770-1773, database is CAplus and MEDLINE.

A palladium-nanoparticle-catalyzed Tsuji-Trost reaction of 4,4,4-trifluorobut-2-en-1-yl acetate and ethyl(4,4,4-trifluorobut-2-en-1-yl)carbonate was accomplished with various nucleophiles including phenols, amines, and malonates. In the case of the phenols, isomerization of the double bond in the product (up to 20%) was observed as a side reaction [e.g., reaction of carbonate I with PhOH using in situ generated Pd NPs afforded II (62%) along with isomerization byproduct III (II:III = 90:10)]. Further synthetic transformations including hydrogenation, the Diels-Alder reaction, and asym. dihydroxylation of a product were also examined

Organic Letters 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, Application of (E)-4,4,4-Trifluorobut-2-en-1-ol.

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

Mullenix, John B. published the artcileElectronic decay through non-linear carbon chains, Synthetic Route of 2240-88-2, the publication is Journal of Physics B: Atomic, Molecular and Optical Physics (2020), 53(18), 184006, database is CAplus.

A multielectron wave-packet propagation method was used to calculate the electronic decay of oxygen and fluorine 2s vacancies for a group of trifluoroalkyl alcs., HOC_nH_(2n-1)F₃, with n between 1 and 5. Whether ionizing O2s or F2s orbitals, it is shown that an electron can be emitted non-locally from the opposite terminus of the mol. The decay of the O(2s^-1) state is found to be about 2-3 times faster than that of the F(2s^-1), but in both cases the process takes only a few femtoseconds, demonstrating a highly efficient energy transfer through the carbon bridge. A comparison to the previously reported non-local decay in linear difluorocumulenone systems shows that the non-linearity of the trifluoroalkyl alcs. does not appear to dramatically influence the decay efficiency. These results shed light onto the nature of the scaling of electron correlation and open the door to the potential design of mols. that take advantage of this mechanism.

Journal of Physics B: Atomic, Molecular and Optical Physics published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Synthetic Route of 2240-88-2.

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

Denisov, E. T. published the artcileKinetic parameters for the forward and reverse reactions of the tert-butoxyl radical with phenols, Computed Properties of 14703-69-6, the publication is Kinetika i Kataliz (1993), 34(3), 424-9, database is CAplus.

Parameters of the parabolic transition state model (2 intersecting unperturbed potential energy curves) for H-abstraction reaction of Me₃CO^• with phenols were evaluated from exptl. kinetic data reported in the literature. Constancy of the br_e parameter for classes of sterically hindered and nonhindered phenols permitted calculation of forward and reverse rate constants of 99 phenols with Me₃CO^• at 333 K.

Kinetika i Kataliz published new progress about 14703-69-6. 14703-69-6 belongs to alcohols-buliding-blocks, auxiliary class Amine,Benzene,Phenol, name is 3-(Methylamino)phenol, and the molecular formula is C7H9NO, Computed Properties of 14703-69-6.

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

Palmer, Michael J. published the artcilePotent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series, Synthetic Route of 328-90-5, the publication is Journal of Medicinal Chemistry (2021), 64(9), 6085-6136, database is CAplus and MEDLINE.

Dihydroorotate dehydrogenase (DHODH) has been clin. validated as a target for the development of new antimalarials. Experience with clin. candidate triazolopyrimidine DSM265 (1) suggested that DHODH inhibitors have great potential for use in prophylaxis, which represents an unmet need in the malaria drug discovery portfolio for endemic countries, particularly in areas of high transmission in Africa. We describe a structure-based computationally driven lead optimization program of a pyrrole-based series of DHODH inhibitors, leading to the discovery of two candidates for potential advancement to preclin. development. These compounds have improved physicochem. properties over prior series frontrunners and they show no time-dependent CYP inhibition, characteristic of earlier compounds Frontrunners have potent antimalarial activity in vitro against blood and liver schizont stages and show good efficacy in Plasmodium falciparum SCID mouse models. They are equally active against P. falciparum and Plasmodium vivax field isolates and are selective for Plasmodium DHODHs vs. mammalian enzymes.

Journal of Medicinal Chemistry 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, Synthetic Route of 328-90-5.

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

Xia, Youyi published the artcileNanoporous gold film: fabrication and role as a catalytic reactor, Application In Synthesis of 597-52-4, the publication is Dalton Transactions (2015), 44(26), 11929-11934, database is CAplus and MEDLINE.

Nanoporous gold (NPG) is attractive due to its high catalytic activity. From an applied and economical point of view, fabricating thin NPG films is recognized to be an ideal approach. Herein, we report an interesting finding that a thin NPG film with a thickness of 90 nm can be prepared on various substrates conveniently by using seed-mediated growth. The film has a nanoporous character with 30-60 nm and 10-30 nm of ligament and pore size, resp. The high cost-efficiency, adjustable substrates, easy and convenient operation make this film reactor a good candidate for catalyzing both oxidative and hydrogenation reactions.

Dalton Transactions published new progress about 597-52-4. 597-52-4 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic Chain, name is Triethylsilanol, and the molecular formula is C2H8Cl2N4S2, Application In Synthesis of 597-52-4.

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

Guo, Jing published the artcileExtended suspect screening strategy to identify characteristic toxicants in the discharge of a chemical industrial park based on toxicity to Daphnia magna, Recommanded Product: Triisopropanolamine, the publication is Science of the Total Environment (2019), 650(Part_1), 10-17, database is CAplus and MEDLINE.

With an increasing amount of industrial wastewater being discharged and the numerous chems. existed in, methods to identify toxicants in such complex matrixes are urgently needed for source control and quality management. In vivo toxicity to Daphnia magna was evaluated in the effluent of a wastewater treatment plant (WWTP). An extended suspect screening strategy was performed by bioassay-directed fractionation, accompanied with suspect screening of 228 suspect chems. in toxic fractions based on their mass characteristics and chromatog. characteristics. A toxicity evaluation of the original samples, organic components extracted by solid-phase extraction (SPE) and the filtered samples showed that organic compounds extracted by SPE were the main toxic components. Four of the 26 fractions of the organic extracts exhibited a toxic unit (TU) >1.0, with hydrophobic organic compounds contributing most to the toxicity. Twenty-eight of the 228 suspects were identified in four toxic fractions, with 53.6% of the suspects elucidated by spectrum interpretation based on mass characteristics and 53.8% more false pos. suspects removed based on chromatog. characteristics. Finally, 6 pollutants, including imazalil, prometryn, propiconazole, tebuconazole, buprofezin and diazinon, were further confirmed and explained 48.79% of the observed toxicity. With 2.48 times more of the toxicity explained and 90% of the labor saved, the extended suspect screening strategy enabled more efficient and reliable identification compared to traditional quant. anal. and non-target screening, especially for identification of characteristic toxicants in complex environmental matrixes.

Science of the Total Environment 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, Recommanded Product: Triisopropanolamine.

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

Trawally, Muhammed published the artcileMandelic acid-based spirothiazolidinones targeting M. tuberculosis: Synthesis, in vitro and in silico investigations, Application of 2-Hydroxy-2-phenylacetic acid, the publication is Bioorganic Chemistry (2022), 105688, database is CAplus and MEDLINE.

A series of new spirothiazolidinone derivatives with a mandelic acid moiety were synthesized and subsequently tested in growth inhibition assays against Mycobacterium tuberculosis strain H37Rv. Compound I displayed the highest inhibition value of 98% at lower than 6.25μg/mL concentration A single crystal X-ray anal. was conducted on this compound to confirm the structure and determine its absolute configuration. Afterwards, reverse docking and mol. dynamics simulations of this specific stereoisomer were performed against a selection of 10 putative targets of M. tuberculosis to suggest possible mechanisms of action. This results suggest HadAB, Pks13, DprE1, FadD32 and InhA as possible target proteins for the observed antimycobacterial activity of compound I.

Bioorganic Chemistry published new progress about 90-64-2. 90-64-2 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Alcohol,Natural product, name is 2-Hydroxy-2-phenylacetic acid, and the molecular formula is C14H14, Application of 2-Hydroxy-2-phenylacetic acid.

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

Barut, Burak published the artcileNovel water soluble morpholine substituted Zn(II) phthalocyanine: Synthesis, characterization, DNA/BSA binding, DNA photocleavage and topoisomerase I inhibition, SDS of cas: 27292-49-5, the publication is International Journal of Biological Macromolecules (2017), 105(Part_1), 499-508, database is CAplus and MEDLINE.

In this study, novel peripherally tetra 3-morpholinophenol substituted zinc(II) phthalocyanine (4) and its water soluble form quaternized zinc(II) phthalocyanine (ZnQ) were synthesized for the first time. These novel compounds were characterized by a combination of different spectroscopic techniques such as FT-IR, ¹H NMR, ¹³C NMR, UV-vis and mass. The DNA binding of ZnQ was investigated using UV-vis absorption titration, competitive ethidium bromide, thermal denaturation and viscosity experiments that the ZnQ bound to CT-DNA via intercalation mode. ZnQ indicated photocleavage activity on supercoiled pBR322 plasmid DNA via formation of singlet oxygen under irradiation at 700 nm. Besides, the topoisomerase I inhibitory effect experiments showed that ZnQ inhibited topoisomerase I enzyme in a concentration-dependent manner. The bovine serum albumin (BSA) binding experiments indicated that ZnQ bound to proteins through a static quenching mechanism. All of these results claim that ZnQ has potential agent for photodynamic therapy owing to its nucleic acid interactions and photobiol. or photochem. properties.

International Journal of Biological Macromolecules published new progress about 27292-49-5. 27292-49-5 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Benzene,Phenol, name is 3-Morpholinophenol, and the molecular formula is C10H13NO2, SDS of cas: 27292-49-5.

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

Barut, Burak published the artcileWater soluble axially morpholine disubstituted silicon phthalocyanines: Synthesis, characterisation, DNA/BSA binding, DNA photocleavage properties, Name: 3-Morpholinophenol, the publication is Synthetic Metals (2017), 22-32, database is CAplus.

In this study axially 1-morpholinopropan-2-ol disubstituted silicon phthalocyanine 4 and axially 3-morpholinophenol disubstituted silicon phthalocyanine 5 and their quaternised water soluble derivatives (4a and 5a) were synthesized for the first time. The structural characterisations of these novel compounds were performed by a combination of FT-IR, ¹H NMR, UV-vis and mass. The binding propensity of the compounds with CT-DNA was performed using UV-vis absorption titration, competitive ethidium bromide and thermal denaturation experiments These studies revealed that 4a and 5a intercalate to CT-DNA with 3.94 ± (0.11) × 10⁴ M^-1 and 1.71 ± (0.09) × 10⁴ M^-1. The DNA cleavage ability of 4a and 5a was investigated using supercoiled pBR322 plasmid DNA on agarose gel electrophoresis. 4a indicated excellent photocleavage activity under light irradiation at 650 nm in a concentration-dependent manner. However, 5a showed low cleavage activities under light irradiation at 12.5 μM and 25 μM but it had moderate cleavage activity at 50 μM. The BSA interaction experiment showed that quenching mechanisms of BSA with 4a and 5a were found as static quenching using UV-vis spectroscopy. All of these results suggest that 4a has a superior photosensitizer agent for photodynamic therapy to that of 5a due to DNA photocleavage properties.

Synthetic Metals published new progress about 27292-49-5. 27292-49-5 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Benzene,Phenol, name is 3-Morpholinophenol, and the molecular formula is C10H13NO2, Name: 3-Morpholinophenol.

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