Day: May 27, 2021

New Advances in Chemical Research, April 2021. Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media. 29836-26-8, Name is Octyl β-D-glucopyranoside, SMILES is CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O, belongs to dioxole compound. In a document, author is Zukerman-Schpector, Julio, introduce the new discover, Product Details of 29836-26-8.

In the title compound, C11H12O2S2, two independent but virtually superimposable molecules, A and B, comprise the asymmetric unit. In each molecule, the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the plane through the remaining four atoms. The substituted benzene ring occupies an equatorial position in each case and forms dihedral angles of 85.62 (9) (molecule A) and 85.69 (8)degrees (molecule B) with the least-squares plane through the 1,3-dithiane ring. The difference between the molecules rests in the conformation of the five-membered 1,3-dioxole ring which is an envelope in molecule A (the methylene C atom is the flap) and almost planar in molecule B (r.m.s. deviation = 0.046 angstrom). In the crystal, molecules of A self-associate into supramolecular zigzag chains (generated by glide symmetry along the c axis) via methylene C-H center dot center dot center dot pi interactions. Molecules of B form similar chains. The chains pack with no specific directional intermolecular interactions between them.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New Advances in Chemical Research in 2021. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction by binding to a specific portion of an enzyme and thus slowing or preventing a reaction from occurring. 122111-11-9, Name is ((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate, SMILES is O=C(OC[C@H]1OC(OS(=O)(C)=O)C(F)(F)[C@@H]1OC(C2=CC=CC=C2)=O)C3=CC=CC=C3, in an article , author is Zhong, JY, once mentioned of 122111-11-9, Computed Properties of https://www.ambeed.com/products/122111-11-9.html.

A nanocomposite was formed by adding fumed silica to the high-permeability random copolymer of tetrafluoroethylene (TFE) and 2,2-bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole (PDD). The self-diffusion constant of pentane in cast films of the pure polymer and nanocomposites containing 10, 20, 25, and 30 wt % fumed silica was measured. The addition of 30 wt % fumed silica increased the self-diffusion constant by an order of magnitude. For the pure polymer and all four nanocomposite compositions, the apparent self-diffusion constants are a function of the time over which diffusion is observed, Delta, in the pulse field gradient experiment. At a given level of fumed silica, diffusion appears to be faster when observed over shorter times and decreases toward a plateau value at long times. This result is qualitatively indicative of tortuous diffusion. The addition of fumed silica not only increases the apparent self-diffusion constants but also changes the dependence of the apparent self-diffusion constants on Delta. The self-diffusion constants decrease more slowly as a function of Delta, indicating better connectivity of the more permeable domains. The apparent diffusion constants also increase as a function of time after the introduction of pentane. This phenomenon is observed in the pure polymer as well and is described as conditioning of the membrane. Conditioning of the membrane increases diffusion constants initially; but after a few months, aging of the membrane leads to a decrease in translational mobility.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New Advances in Chemical Research in 2021. Related Products of 2210-74-4, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 2210-74-4, Name is 1-(2-Methoxyphenoxy)-2,3-epoxypropane, SMILES is COC1=C(OCC2CO2)C=CC=C1, belongs to dioxole compound. In a article, author is Vokin, AI, introduce new discover of the category.

Ionization energies of four model compounds with known conformations, i.e., benzo-1,3-dioxole, 2-methoxyphenol, benzo-1,3-dioxole-5-carbaldehyde (piperonal), and 4-hydroxy-3-methoxybenzaldehyde, have been calculated by the ab initio AM1 method, using the formalized scheme of configuration interactions. It has been demonstrated that this method is adequate for the study of photoelectronic spectra of methoxy(hydroxy)-substituted benzenes. The ionization energies of 1,2-dimethoxybenzene, 3,4-dimethoxybenzaldehyde, and 4-hydroxy-3,5-dimethoxybenzaldehyde have been calculated for various orientations of the o-methoxy(hydroxy) groups. It has been revealed that three first ionization potentials corresponding to the states with vacancies on the pi-MO depend on the torsion angle. It has been established by comparison of calculated and experimental ionization potentials that in gas the compounds with adjacent methoxy groups have one O-Me bond parallel with the plane of the benzene ring, while another group is nearly perpendicular to this plane. Conformations of the heavy-atom framework are planar for gaseous molecules with adjacent methoxy and hydroxy groups.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New Advances in Chemical Research, April 2021. Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. HPLC of Formula: https://www.ambeed.com/products/67217-55-4.html67217-55-4, Name is Mono-(6-p-toluenesulfonyl)-β-cyclodextrin, SMILES is O=S(OC[C@@H]1[C@@]([C@@H]([C@H]([C@]([H])(O1)O[C@@]23[H])O)O)([H])O[C@]4([H])[C@H](O)[C@H]([C@@]([H])([C@H](O4)CO)O[C@]5([H])[C@H](O)[C@H]([C@@]([H])([C@H](O5)CO)O[C@]6([H])[C@H](O)[C@H]([C@@]([H])([C@H](O6)CO)O[C@@]([H])(O[C@@H]([C@]7(O[C@@]([H])(O[C@@H]([C@]8(O[C@]([H])([C@@H]([C@H]2O)O)O[C@@H]3CO)[H])CO)[C@@H]([C@H]8O)O)[H])CO)[C@@H]([C@H]7O)O)O)O)O)(C9=CC=C(C=C9)C)=O, belongs to dioxole compound. In a article, author is Meuche-Albeny, J, introduce new discover of the category.

5-Chloromethyl-6-nitrobenzo[1,3]dioxole has been shown to react with 2-nitropropane anion to give C-alkylation by an S(RN)1 mechanism. The reaction was extended to various aliphatic, cyclic and heterocyclic nitronate anions, leading to a new series of nitrobenzo[1,3]dioxole derivatives.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New Advances in Chemical Research, April 2021. Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. Recommanded Product: 43157-50-243157-50-2, Name is 2-Thioadenosine, SMILES is S=C1NC2=C(N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(N)=N1, belongs to dioxole compound. In a article, author is Feng, Min, introduce new discover of the category.

The main molecule of the title solvate, C33H30N2O10 center dot CH3OH, is a new antitumor agent, which shows cytotoxicity against MDR cancer cell lines. It has been synthesized by coupling 4 beta-aminopodophyllotoxin with (5-methoxy-1H-indol-3-yl) glyoxyl chloride and structurally characterized. There are two crystallographically independent molecules in the asymmetric unit, which differ in the dihedral angles between the aromatic rings. The dihedral angles between the benzene ring of the benzo[d][1,3] dioxole and the benzene ring of the 5-methoxy-1H-indole are 85.08 (3) and 76.88 (3)degrees and reflect the main conformational difference between the two independent molecules. The asymmetric unit is completed with two methanol solvent molecules, one of which is disordered over two positions, with occupancies close to 0.5.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New Advances in Chemical Research, April 2021. Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media. 87-72-9, Name is L-Arabinopyranose, SMILES is OC1[C@H](O)[C@@H](O)[C@@H](O)CO1, belongs to dioxole compound. In a document, author is Ivanov, SN, introduce the new discover, Quality Control of L-Arabinopyranose.

Methods for the synthesis of substituted bis(2,5-dimethyl-3-thienyl)ethenes with 1,3-dioxole- and 1,3-oxazole-2-thione fragments as ethene bridges were developed. These compounds exhibit photochromic properties.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New Advances in Chemical Research in 2021. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction by binding to a specific portion of an enzyme and thus slowing or preventing a reaction from occurring. 2210-74-4, Name is 1-(2-Methoxyphenoxy)-2,3-epoxypropane, SMILES is COC1=C(OCC2CO2)C=CC=C1, in an article , author is Kumbaraci, Volkan, once mentioned of 2210-74-4, Name: 1-(2-Methoxyphenoxy)-2,3-epoxypropane.

A 1,3-benzodioxole derivative of naphthodioxinone, namely 2-(benzo[d][1,3]dioxol-5-yl)-9-hydroxy-2-phenyl-4H-naphtho[2,3-d][1,3]dioxin-4-one was synthesized and characterized. Its capability to act as caged one-component Type II photoinitiator for free radical polymerization was examined. Upon irradiation, this photoinitiator releases 5-benzoyl-1,3-benzodioxole possessing both benzophenone and 1,3-dioxole groups in the structure as light absorbing and hydrogen donating sites, respectively. Subsequent photoexcitation of the benzophenone chromophore followed by hydrogen abstraction generates radicals capable of initiating free radical polymerization of appropriate monomers. (C) 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 50: 2612-2618, 2012

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New discoveries in chemical research and development in 2021. As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 4330-21-6, Name is Hoffer’s chlorosugar, molecular formula is C21H21ClO5. In an article, author is Mansour, Eman,once mentioned of 4330-21-6, Recommanded Product: 4330-21-6.

2-(5-(Benzo[d][1,3]dioxol-5-yl)-3-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-(4-substituted phenyl)thiazole (7) and thiazole derivatives (9) were synthesized via reaction of 4,5-dihydro-1H-pyrazoles (5a,b) with substituted phenacyl bromide and a number of alpha-halo-compounds respectively. Also, (E)-2-(5-(benzo[d][1,3]dioxol-5-yl)-3-(naphthalen-1-yl)-4,5 dihydro-1H-pyrazol-1-yl)-4-methyl-5-(substituted phenyldiazenyl)thiazole (11) were prepared through reactions of carbothioamide (5a,b) with hydrazonoyl halides. In addition, thioamides (5a-b) were used as starting materials for preparation of thiazoles (12a-b) and benzylidene thiazoles (13a-b). Most of synthesized compounds show interesting biological properties as antimicrobial and antiproliferative activities, the results of minimum inhibitory concentration showed that pyrazole derivative 7c (MIC: 0.23 mg/mL) showed better results when compared with 11c and 12a (MIC: 0.1-0.125 mg/mL) as obtained from their MIC values. On the other hand, 2-(5-(benzo[d][1,3]dioxol-5-yl)-3-(naphthalen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-(4-chlorophenyl) thiazole (7c) can be considered as the most promising anti-proliferative agent against HCT-116 cancer cells owing to its notable inhibitory effect on HCT-116 cells with an IC50 value of 6.19 mu M.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New research progress on 28053-08-9 in 2021. Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. In an article, author is De Angelis, MG, once mentioned the application of 28053-08-9, Quality Control of Disodium UDP-glucose, Name is Disodium UDP-glucose, molecular formula is C15H22N2Na2O17P2, molecular weight is 610.27, MDL number is MFCD00077895, category is dioxole. Now introduce a scientific discovery about this category.

The sorption and dilation properties of a series of n-alkanes and the corresponding perfluorinated compounds have been examined in two amorphous copolymers of tetrafluoroethylene (TFE) and 2,2-bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole (BDD), commercially available under the names Teflon AF1600 and AF2400. The analysis was made at three different temperatures: 25, 35, and 45 degreesC, to test the effect of temperature on solubility and to evaluate the sorption enthalpies. The partial molar volumes of most penetrants have also been determined in both copolymers. The experimental data have been satisfactorily compared with the sorption isotherms predicted or correlated using the nonequilibrium lattice fluid model.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem

New research progress on 144690-92-6 in 2021. Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. In an article, author is Yang, Zhongzhen, once mentioned the application of 144690-92-6, HPLC of Formula: https://www.ambeed.com/products/144690-92-6.html, Name is Triphenyl methyl olmesartan, molecular formula is C48H44N6O6, molecular weight is 800.8996, MDL number is MFCD08704231, category is dioxole. Now introduce a scientific discovery about this category.

Palmatine and berberine, structurally similar isoquinoline alkaloids exhibiting a broad range of biological activities, were recently found to inhibit p300 histone acetyltransferase (HAT), a potential therapeutic target for treating transcriptional activator-driven malignancies and diseases. Here, we report the first total synthesis of B-homo palmatine (11a) and berberine (11b) derivatives, which were synthesized from 3,4-dimethoxybenzaldehyde (1a) and benzo[d][1,3]dioxole-5-carbaldehyde (1b) in nine steps in 13.8 and 16.9% overall yields, respectively. A number of other new B-homo palmatine and berberine derivatives were also prepared. These derivatives display good inhibitory activity against p300 HAT; compound 12a manifests the most potent inhibition with an IC50 value of 0.42 mu m. Cell-based assays revealed that 12a exhibits certain inhibitory activity against HCG27, HT1080, and Z-138 cell lines, and no visible activity towards other cancer cell lines tested, reflecting that 12a has low cytotoxicity and acts against some types of cancer cells.

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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem