Category: Dioxole

With the volume and accessibility of scientific research increasing across the world, it has never been more important to continue building the reputation for quality and ethical publishing we’ve spent the past two centuries establishing. 67217-55-4, 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, in an article , author is Luginina, Jevgenija, once mentioned of 67217-55-4, SDS of cas: 67217-55-4.

The title compound, C13H21NO7 {systematic name: (3aR, 5S, 6R, 6aR)-5-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-(nitromethyl)tetrahydrofuro[2,3-d][1,3]dioxole}, consists of a substituted 2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxolane skeleton. The furanose ring A adopts a T-o(4) conformation. The fused dioxolane ring B and the substituent dioxolane ring C also have twisted conformations. There are no strong hydrogen bonds in the crystal structure: only weak C-H center dot center dot center dot O contacts are present, which link the molecules to form a three-dimensional structure.

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

When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. 106-91-2, Name is Oxiran-2-ylmethyl methacrylate, SMILES is CC(C(OCC1OC1)=O)=C, in an article , author is Wang, YZ, once mentioned of 106-91-2, Reference of 106-91-2.

Spectra of xenon-129 sorbed into two high permeability polymers are reported. The polymers are the copolymer of tetrafluoroethylene and 2,2-bis(trifluoromethyl)-4,5-difluoro-1,3-dioxole as well as poly(1-trimethylsilyl-1-propyne). At room temperature, the xenon-129 shifts are smaller than in conventional glassy polymers. The smaller xenon-129 shift indicates the presence of larger sorption sites in high permeability polymers relative to conventional polymers. The temperature dependence of solubility in these polymers is drastically different from the behavior in conventional polymers. There is a rapid exponential increase in solubility in high permeability polymers as temperature decreases corresponding to a large negative enthalpy change on sorption and it is this increase in solubility which leads to a large increase in shift with decreasing temperature. Pulse field gradient (PFG) determinations of the self-diffusion constant are made for xenon, propane, pentane and a decafluoropentane in the copolymer. Rapid diffusion is observed as well as a dependence of the apparent diffusion constant on the time scale of the PFG experiment. The translational mobility of smaller simpler moieties depends less on the time scale or equivalently, the length scale of observation in the PFG NMR experiment. For larger, more complex species, the interconnectedness of high free volume domains plays a role in reducing the apparent diffusion constant as the time of measurement increases. (C) 2002 Published by Elsevier Science Ltd.

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

Chemical research careers are more diverse than they might first appear, as there are many different reasons to conduct research and many possible environments. 28053-08-9, Name is Disodium UDP-glucose, SMILES is O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)OP([O-])(OP([O-])(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)N3C=CC(NC3=O)=O)=O)=O.[Na+].[Na+], in an article , author is Manzetti, Sergio, once mentioned of 28053-08-9, Recommanded Product: Disodium UDP-glucose.

Molecular mutagens and carcinogens are structures which carry chemical and electronic properties that disturb and interact with the genomic machinery. Principally, a rule of thumb for carcinogens is that carcinogens are expected to introduce covalent irreversible bonding to one or several types of DNA bases, causing errors in the reading frame for the polymerases. 8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid, better known as Aristolochic acid (AA1) is a recognized carcinogen which causes urotherial cancer and is found in certain plants. Its structure is particularly interesting given that it is closely related to phenanthrene in its polycyclic arrangement, and has four functional groups, a carboxyl-, a nitro-, a methoxy- and a dioxolane group. In this work, the structure of AA1 has been resolved at the MPWPW91 density functional theory method in combination with Aug-cc-pVDZ basis sets. A geometry analysis shows that in AA1 the carboxyl group’s torsion is caused by steric strain from the nitro group, which elevates the molecular plane of the first phenanthrene ring with 0.1 angstrom. The wavefunction analysis of AA1 shows that the ring deformation enhances a double -bond localization in the first ring, adjacent to the dioxalane group, and results in a decrease of ring aromaticity and induces a potentially frozen resonance. Intermolecular and intramolecular interactions were characterized by atoms in molecules and reduced density gradient analysis. This study brings novel information on the geometry and electronic structure of AA1, which are important for the further knowledge of its transformation in vivo and in situ. Copyright (c) 2013 John Wiley & Sons, Ltd.

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

In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. 43157-50-2, 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, in an article , author is Meuche-Albeny, J, once mentioned of 43157-50-2, Recommanded Product: 43157-50-2.

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

The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 2210-74-4, Name is 1-(2-Methoxyphenoxy)-2,3-epoxypropane, SMILES is COC1=C(OCC2CO2)C=CC=C1, in an article , author is Hernandez, Paola, once mentioned of 2210-74-4, Reference of 2210-74-4.

Neglected diseases represent a major health problem. It is estimated that one third of the world population is infected with tuberculosis and additionally Leishmaniosis and Chagas disease affect approximately 30 million people. N-Acylhydrazone moiety is a repeated functional group present in several prototypes and drug candidates for these neglected diseases. On the other hand, furoxan system has been studied as pharmacophore for Leishmaniosis and Chagas diseases. Here we report on the design and preparation of forty hybrid furoxanyl N-acylhydrazones and on their activity on Mycobacterium tuberculosis, H37Rv and MDR strains, Trypanosoma cruzi, and Leishmania amazonensis. Among them, four derivatives displayed excellent to good selectivity indexes against the three different microorganisms. Hybrid compound N’-(4-phenyl-3-furoxanylmethylidene)isoniazide 9 showed the best antibacterial profile with MIC value 4.5 lesser than the value for the reference isoniazid against MDR strain. Furoxanyl N-acylhydrazone (E)-2-methyl-N’-(4-phenyl-3-furoxanylmethylidene)-4H-imidazo[1,2-a] pyridine-3-carbohydrazide 15 was ten-fold more potent against T cruzi Amastigotes than the standard drug nifurtimox. On the other hand, derivatives (E)-N’-(5-benzofuroxanylmethylidene)benzo[d][1,3] dioxole-5-carbohydrazide 25 and (E)-N’-(4-hydroxy-3-methoxyphenylmethylidene)-3-methylfuroxan-4-carbohydrazide 37 emerged as leads for the development of new leishmanicidal agents. The adequate stability, in simulated biological system and plasma, and the lack of mutagenicity of these derivatives allow us to propose them as candidates for further pre-clinical studies. (C) 2012 Elsevier Masson SAS. All rights reserved.

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

Having gained chemical understanding at molecular level, chemistry graduates may choose to apply this knowledge in almost unlimited ways, as it can be used to analyze all matter and therefore our entire environment. 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 document, author is Wu, Liqiang, introduce the new discover, COA of Formula: https://www.ambeed.com/products/2210-74-4.html.

Benzo[d][1,3]dioxoles 1,4-thiazepines remarkable antitumor activities, benzo[d][1,3]dioxoles-fused 1,4thiazepines, which combine two biologically active heterocyclic cores, are expected to be of pharmacological interest, We therefore envisaged that integrating 1,4-thiazepine and benzo[d][1,3]dioxole moieties in one molecular platform could potentially produce novel compounds with significant synergistic antitumor properties. A series of novel benzo[d][1,3]dioxoles-fused 1,4-thiazepines, designed via molecular hybridization approach, were synthesized in very good yields using one-pot condensation of 3,4-methylenedioxyaniline, aldehydes, and alpha-mercaptocarboxylic acids under solvent-free condition. The anti-proliferative activities of all the synthesized compounds were assessed on two different human cancer cell lines (Esophageal squamous cell carcinoma Ec9706 and Eca109), and the results showed that compound 4e showed the best anti-tumor activity with IC50 values of 8.23 mu M and 16.22 mu M against Ec9706 and Eca109 cell lines, respectively, which was 2-3 times more potent than 5-Fluorouracil (IC50 = 23.26 mu M and 30.25 mu M against Ec9706 and Eca109 respectively). These novel benzo[d][1,3] dioxoles fused with bioactive heterocyclic skeletons may find their pharmaceutical applications after further investigations. (C) 2017 Elsevier Masson SAS. All rights reserved.

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

You could be based in a university, combining chemical research with teaching; in a pharmaceutical company, working on developing and trialing new drugs; helping to ensure national healthcare provision keeps pace with new discoveries. Safety of L-Arabinopyranose87-72-9, Name is L-Arabinopyranose, SMILES is OC1[C@H](O)[C@@H](O)[C@@H](O)CO1, belongs to dioxole compound. In a article, author is Yakiyama, Yumi, introduce new discover of the category.

Buckybowls bearing a C-70 fragment having two alkoxy groups were synthesized and their structural and optical properties were investigated by single crystal X-ray analysis and UV-vis spectroscopy. In the synthesis of dioxole derivative 5b, the regioisomer 5c was also produced. The yield of 5c was increased by increasing the reaction temperature, indicating that the rearrangement might involve the equilibrium between the Pd(IV) intermediates through C-H bond activation.

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

With the volume and accessibility of scientific research increasing across the world, it has never been more important to continue building the reputation for quality and ethical publishing we’ve spent the past two centuries establishing. 114214-49-2, Name is tert-Butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate, SMILES is C(C)(C)(C)OC(=O)N2CC1OC1C2, in an article , author is Vansco, Michael F., once mentioned of 114214-49-2, Quality Control of tert-Butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Ozonolysis of isoprene, one of the most abundant volatile organic compounds emitted into the Earth’s atmosphere, generates two four-carbon unsaturated Criegee intermediates, methyl vinyl ketone oxide (MVK-oxide) and methacrolein oxide (MACR-oxide). The extended conjugation between the vinyl substituent and carbonyl oxide groups of these Criegee intermediates facilitates rapid electrocyclic ring closures that form five-membered cyclic peroxides, known as dioxoles. This study reports the first experimental evidence of this novel decay pathway, which is predicted to be the dominant atmospheric sink for specific conformational forms of MVK-oxide (anti) and MACR-oxide (syn) with the vinyl substituent adjacent to the terminal O atom. The resulting dioxoles are predicted to undergo rapid unimolecular decay to oxygenated hydrocarbon radical products, including acetyl, vinoxy, formyl, and 2-methylvinoxy radicals. In the presence of O-2, these radicals rapidly react to form peroxy radicals (ROO), which quickly decay via carbon-centered radical intermediates (QOOH) to stable carbonyl products that were identified in this work. The carbonyl products were detected under thermal conditions (298 K, 10 Torr He) using multiplexed photoionization mass spectrometry (MPIMS). The main products (and associated relative abundances) originating from unimolecular decay of anti-MVK-oxide and subsequent reaction with O-2 are formaldehyde (88 +/- 5%), ketene (9 +/- 1%), and glyoxal (3 +/- 1%). Those identified from the unimolecular decay of syn-MACR-oxide and subsequent reaction with O-2 are acetaldehyde (37 +/- 7%), vinyl alcohol (9 +/- 1%), methylketene (2 +/- 1%), and acrolein (52 +/- 5%). In addition to the stable carbonyl products, the secondary peroxy chemistry also generates OH or HO2 radical coproducts.

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

Academic researchers, R&D teams, teachers, students, policy makers and the media all rely on us to share knowledge that is reliable, accurate and cutting-edge. 87-72-9, Name is L-Arabinopyranose, SMILES is OC1[C@H](O)[C@@H](O)[C@@H](O)CO1, in an article , author is Ivanov, SN, once mentioned of 87-72-9, Category: dioxoles.

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 research progress on 67217-55-4 in 2021. Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. In an article, author is Blakey, Idriss, once mentioned the application of 67217-55-4, Quality Control of Mono-(6-p-toluenesulfonyl)-β-cyclodextrin, Name is Mono-(6-p-toluenesulfonyl)-β-cyclodextrin, molecular formula is C49H76O37S, molecular weight is 1289.1706, MDL number is MFCD05864975, category is dioxole. Now introduce a scientific discovery about this category.

The photodegradation at 157 nm of thin films of a series of Teflon AF copolymers has been comprehensively examined using electron spin resonance, NMR, FTIR, and Raman spectroscopies, mass spectrometry and X-ray photoelectron spectroscopy. The mechanism of degradation involves reaction at the dioxole units, and as a consequence the sensitivity to degradation increases across the series Teflon AF 1200, 1600, and 2400. A major volatile product is hexafluoroacetone formed by degradation at the dioxole unit. NMR and volatile product analysis confirm that degradation occurs largely at the dioxole unit leading to an array of new chain-end species. Main-chain and chain-end carbon-centered radicals were identified as arising from abstraction reactions and main-chain cleavage, respectively. In addition to loss of the dioxole units, XPS analysis indicates extensive char formation at the film surface, providing evidence of loss of fluorine atoms which in turn may react with free radical intermediates to form stable products identified by NMR. The implications for design of materials for 157 nm photolithography are discussed.

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