Tag: M.W=1300-1400

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 51166-71-3, Name is 2,6-Di-O-methyl-¦Â-cyclodextrin, formurla is C56H98O35. In a document, author is Jasinski, Jerry P., introducing its new discovery. Recommanded Product: 51166-71-3.

1-(1,3-Benzodioxol-5-yl)ethanone

In the title compound, C(9)H(8)O(3), the dihedral angle between the mean planes of the benzene and dioxole rings is 1.4 (8)degrees, with the dioxole group in a slightly distorted envelope configuration with the flap C atom displaced by 0.0645 angstrom from the plane through the other four atoms. In the crystal, weak intermolecular C-H center dot center dot center dot O hydrogen-bond interactions link the molecules into chains propagating in [011]. The crystal packing exhibits weak pi-pi interactions as evidenced by the relatively short distances [3.801 (9) angstrom] between the centroids of adjacent benzene rings.

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

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 51166-71-3, Name is 2,6-Di-O-methyl-¦Â-cyclodextrin, SMILES is COC[C@@H]1[C@]2([H])[C@@H]([C@@H](OC)[C@](O[C@]3([H])[C@H](O[C@@](O[C@]4([H])[C@H](O[C@@](O[C@]5([H])[C@H](O[C@@](O[C@@]6([H])[C@H](O)[C@@H](OC)[C@@](O[C@@H]6COC)([H])O[C@@]7([H])[C@H](O)[C@@H](OC)[C@@](O[C@@H]7COC)([H])O[C@@]8([H])[C@H](O)[C@@H](OC)[C@@](O[C@@H]8COC)([H])O2)([H])[C@H](OC)[C@H]5O)COC)([H])[C@H](OC)[C@H]4O)COC)([H])[C@H](OC)[C@H]3O)COC)([H])O1)O, in an article , author is Al-Wabli, Reem I., once mentioned of 51166-71-3, Formula: C56H98O35.

Vibrational spectroscopic studies, Fukui functions, HOMO-LUMO, NLO, NBO analysis and molecular docking study of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one, a potential precursor to bioactive agents

The FT-IR and FT-Raman spectra of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one were recorded and analyzed experimentally and theoretically. The observed experimental and theoretical wavenumbers were assigned using potential energy distribution. The NLO properties were evaluated by the determination of first and second hyperpolarizabilities of the title compound. From the frontier molecular orbital study, the HOMO centers over the entire molecule except the methyl groups, while the LUMO is over the entire molecule except the CH2 group with the dioxole ring and one of the methyl groups. From the MEP plot, it is evident that the negative region covers the carbonyl and C=C groups and the positive region is over CH2 groups. The Fukui functions are also reported. The calculated geometrical parameters are in agreement with the XRD results. From the molecular docking study, the docked ligand title compound forms a stable complex with the androgen receptor and gives a binding affinity value of -8.1 kcal/mol and the results suggest that the compound might exhibit inhibitory activity against androgen receptor. (C) 2016 Elsevier B.V. All rights reserved.

Interested yet? Read on for other articles about 51166-71-3, you can contact me at any time and look forward to more communication. Formula: C56H98O35.

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

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 51166-71-3, Name is 2,6-Di-O-methyl-¦Â-cyclodextrin, molecular formula is C56H98O35. In an article, author is Merkel, T. C.,once mentioned of 51166-71-3, Application In Synthesis of 2,6-Di-O-methyl-¦Â-cyclodextrin.

Comparison of hydrogen sulfide transport properties in fluorinated and nonfluorinated polymers

Permeability coefficients of hydrogen sulfide in fluorinated polymers are anomalously low when compared to its permeability in nonfluorinated polymers. As a result, fluoropolymer membranes have unusual selectivities for gas pairs involving H2S. For example, while the mixture CO2/H2S selectivity is 0.66 for nonfluorinated, rubbery poly( dimethylsiloxane), this selectivity is 8.0 for a fluoroelastomer composed of tetrafluoroethylene, perfluoromethyl vinyl ether, and perfluoro-8-cyano-5-methyl-3,6-dioxa-1-octene (TFE/PMVE/ 8CNVE) and 27 for a glassy, cyclic perfluoroether (Cytop) under similar test conditions. The low H2S permeability in fluoropolymers is caused primarily by unexpectedly low H2S solubility in the fluorinated polymer matrices. For instance, H2S solubility in a Teflon AF copolymer of tetrafluoroethylene and 2,2-bis(trifluoromethyl)-4,5difluoro- 1,3-dioxole is approximately 5 times lower than the value predicted by a correlation of solubility with gas critical temperature. This low solubility is not related to penetrant size or condensability effects but rather is caused by unfavorable molecular interactions between H2S and fluoropolymers. As a result of this unusual solubility behavior, fluorinated glassy polymers are more resistant to H2S-induced plasticization than nonfluorinated glasses. These findings may prove useful in emerging membrane applications that involve H2S, such as natural gas treatment.

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

Synthetic Route of 51166-71-3, 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. 51166-71-3, Name is 2,6-Di-O-methyl-¦Â-cyclodextrin, SMILES is COC[C@@H]1[C@]2([H])[C@@H]([C@@H](OC)[C@](O[C@]3([H])[C@H](O[C@@](O[C@]4([H])[C@H](O[C@@](O[C@]5([H])[C@H](O[C@@](O[C@@]6([H])[C@H](O)[C@@H](OC)[C@@](O[C@@H]6COC)([H])O[C@@]7([H])[C@H](O)[C@@H](OC)[C@@](O[C@@H]7COC)([H])O[C@@]8([H])[C@H](O)[C@@H](OC)[C@@](O[C@@H]8COC)([H])O2)([H])[C@H](OC)[C@H]5O)COC)([H])[C@H](OC)[C@H]4O)COC)([H])[C@H](OC)[C@H]3O)COC)([H])O1)O, belongs to dioxoles compound. In a article, author is Walker, O, introduce new discover of the category.

Solvent dependence of rotational anisotropy and molecular geometry as probed by NMR cross-relaxation rates

A medium size and rigid molecule (2,3-naphto-1,3-dioxole) has been selected for this study because full anisotropic reorientation is expected and because its symmetry elements dictate the orientation of the rotation-diffusion tensor. NMR measurements include direct cross-relaxation rates (which yield the three rotation-diffusion coefficients by assuming the length of CH bonds) and remote cross-relaxation rates (which, by using these rotation-diffusion coefficients, yield distances between a given carbon and remote protons). Two different solvents have been used: carbon disulfide and dimethyl sulfoxide, In both solvents, the same type of reorientation anisotropy is observed although with different ratios of rotation-diffusion coefficient values, presumably due to specific intermolecular interactions undergone by the dioxole ring. This would also explain geometrical variations at the level of this moiety. (C) 2002 Published by Elsevier Science B.V.

Synthetic Route of 51166-71-3, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 51166-71-3 is helpful to your research.

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

Electric Literature of 51166-71-3, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 51166-71-3, Name is 2,6-Di-O-methyl-¦Â-cyclodextrin, SMILES is COC[C@@H]1[C@]2([H])[C@@H]([C@@H](OC)[C@](O[C@]3([H])[C@H](O[C@@](O[C@]4([H])[C@H](O[C@@](O[C@]5([H])[C@H](O[C@@](O[C@@]6([H])[C@H](O)[C@@H](OC)[C@@](O[C@@H]6COC)([H])O[C@@]7([H])[C@H](O)[C@@H](OC)[C@@](O[C@@H]7COC)([H])O[C@@]8([H])[C@H](O)[C@@H](OC)[C@@](O[C@@H]8COC)([H])O2)([H])[C@H](OC)[C@H]5O)COC)([H])[C@H](OC)[C@H]4O)COC)([H])[C@H](OC)[C@H]3O)COC)([H])O1)O, belongs to dioxoles compound. In a article, author is Itoh, S, introduce new discover of the category.

Addition-cyclization reaction of nitroalkane anions with o-quinone derivatives via electron transfer in the charge-transfer complexes

An addition-cyclization reaction of nitroalkane anions with tricyclic o-quinones occurs in acetonitrile to yield the corresponding 1,3-dioxole derivatives. The heat of formation of the charge-transfer complex formed between the 2-nitropropane anion and 1,7-phenanthroline-5,6-dione is of greater magnitude than the observed activation enthalpy of the addition reaction. Since such a relationship could only arise when the charge-transfer complex lies along the reaction pathway, the charge-transfer complex acts as a real intermediate rather than a bystander in the addition reaction of the 2-nitropropane anion with the o-quinone derivative. A comparison of the observed rate constants with those predicted for the electron transfer from nitroalkane anions to o-quinones indicates that the addition reaction proceeds via electron transfer in the charge-transfer complex formed between nitroalkane anions and the o-quinones, followed by C-O adduct formation and subsequent cyclization to afford the 1,3-dioxole derivatives.

Electric Literature of 51166-71-3, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 51166-71-3 is helpful to your research.

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

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 51166-71-3, Name is 2,6-Di-O-methyl-¦Â-cyclodextrin, molecular formula is C56H98O35. In an article, author is Fan, Ming-Jin,once mentioned of 51166-71-3, COA of Formula: C56H98O35.

DABCO-catalyzed reaction of phenols or 1,2-diphenols with activated alkynes leading to the formation of alkenoic acid esters or 1,3-dioxole derivatives

The reaction of phenols or 1,2-diphenols with activated alkynes took place smoothly and rapidly in the presence of a catalytic amount of 1,4-diazabicyclo[2.2.2] octane (DABCO) at room temperature and resulted in the formation of various alkenoic acid esters or 1,3-dioxole derivatives in excellent yields. The scope and limitations, together with a plausible mechanism of the reaction are disclosed in this paper.

Interested yet? Keep reading other articles of 51166-71-3, you can contact me at any time and look forward to more communication. COA of Formula: C56H98O35.

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

In an article, author is Wang, ZG, once mentioned the application of 51166-71-3, COA of Formula: C56H98O35, Name is 2,6-Di-O-methyl-¦Â-cyclodextrin, molecular formula is C56H98O35, molecular weight is 1331.3563, MDL number is MFCD00011616, category is dioxoles. Now introduce a scientific discovery about this category.

Diethyl 2,3-bis(benzo[1,3]dioxole-5-carbonyl)but-2-enedioate

The title compound, C24H20O10, is centrosymmetric about the central C = C bond, indicating that the molecule adopts a trans configuration and that the aromatic rings are parallel to each other. The crystal structure is stabilized by intermolecular C – H ……. O interactions.

If you are interested in 51166-71-3, you can contact me at any time and look forward to more communication. COA of Formula: C56H98O35.

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

Chemistry is an experimental science, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 51166-71-3, Name is 2,6-Di-O-methyl-¦Â-cyclodextrin, molecular formula is , belongs to dioxoles compound. In a document, author is Kuwata, KT, Name: 2,6-Di-O-methyl-¦Â-cyclodextrin.

Quantum chemical and master equation studies of the methyl vinyl carbonyl oxides formed in isoprene ozonolysis

Methyl vinyl carbonyl oxide is an important intermediate in the reaction of isoprene and ozone and may be responsible for most of the (OH)-O-center dot formed in isoprene ozonolysis. We use CBS-QB3 calculations and RRKM/ master equation simulations to characterize all the pathways leading to the formation of this species, all the interconversions among its four possible conformers, and all of its irreversible isomerizations. Our calculations, like previous studies, predict (OH)-O-center dot yields consistent with experiment if thermalized syn-methyl carbonyl oxides form (OH)-O-center dot quantitatively. Natural bond order analysis reveals that the vinyl group weakens the C=O bond of the carbonyl oxide, making rotation about this bond accessible to this chemically activated intermediate. The vinyl group also allows one conformer of the carbonyl oxide to undergo electrocyclization to form a dioxole, a species not previously considered in the literature. Dioxole formation, which has a CBS-QB3 reaction barrier of 13.9 kcal/mol, is predicted to be favored over vinyl hydroperoxide formation, dioxirane formation, and collisional stabilization. Our calculations also predict that two dioxole derivatives, 1.2-epoxy-3-butanone and 3-oxobutanal, should be major products of isoprene ozonolysis.

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