Category: dioxoles

144690-92-6, Name is Triphenyl methyl olmesartan, molecular formula is C48H44N6O6, belongs to dioxoles compound, is a common compound. In a patnet, author is Belz, Steffen, once mentioned the new application about 144690-92-6, Formula: C48H44N6O6.

Nuclear Spin Selective Torsional States: Implications of Molecular Symmetry

We consider a class of molecules with C-2 symmetry axis and three segments A, B, C which can rotate independently about that axis, corresponding to two independent torsions (B vs. A and C vs. B). The torsions may be feasible either in the electronic ground or in the excited states. We determine the corresponding molecular symmetry group, i.e. the Abelian group G(16)(A) representing 16 feasible permutations and permutation-inversions, and its permutation subgroup with eight permutations, together with their properties, e.g. their character tables and the corresponding 16 or 8 irreducible representations (IREPs), respectively. Accordingly, the molecules which belong to this class have at most eight different nuclear spin isomers (NSIs). A subset of them survives at low temperature, T -> 0. The corresponding NSI selective wavefunctions contain products of torsional times nuclear wavefunctions with specific IREPs. The NSIs are characterized by these IREPs. As an example, we determine the molecular symmetry adapted torsional wavefunctions of the model 2-[4-(cyclopenta-2,4-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2H-1,3-dioxole, abbreviated as CCD. In order to demonstrate the principles of the derivations, we employ a simple model, with the C-2 symmetry axis oriented along the laboratory Z-axis, and with all degrees of freedom frozen in the equilibrium structure of CCD, except the two torsional degrees of freedom. The resulting torsional wavefunctions represent different NSIs of CCD, ready for subsequent applications, e.g. for demonstrations of NSI selective dynamics.

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

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 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 document, author is da Silva, KP, introduce the new discover, Computed Properties of C56H98O35.

Synthesis of peptidyl benzodioxole derivatives from safrole, a potential class of antitumor drugs

As part of a preliminary study on novel antitumor drugs, the synthesis of a new class of peptidyl compounds, using natural safrole is described. The 1,3-benzodioxole group was initially converted into a 6-alyl-benzo[1,3]dioxole-5-ilamine. The peptidyl derivatives were prepared by condensation of amino moiety with appropriately protected alpha-amino acids, The structures of this new class of compounds was determined by IR and NMR spectral data.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 51166-71-3 is helpful to your research. Computed Properties of C56H98O35.

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

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , SDS of cas: 29836-26-8, 29836-26-8, Name is Octyl ¦Â-D-glucopyranoside, molecular formula is C14H28O6, belongs to dioxoles compound. In a document, author is Pinnau, I, introduce the new discover.

Gas and vapor transport properties of amorphous perfluorinated copolymer membranes based on 2,2-bistrifluoromethyl-4,5-difluoro-1,3-dioxole/tetrafluoroethylene

Teflon AF 2400 (Du Pont) is an amorphous, glassy perfluorinated copolymer containing 87 mol% 2,2-bistrifluoromethyl-4,5-difluoro-1,3-dioxole and 13 mol% tetrafluoroethylene. The polymer has an extremely high fractional free volume of 0.327. Permeability coefficients for helium, hydrogen, carbon dioxide, oxygen, nitrogen, methane, ethane, propane, and chlorodifluoromethane (Freon 22) were determined at temperatures from 25 to 60 degrees C and pressures from 20 to 120 psig. Permeation properties were also determined at a feed pressure of 200 psig at 25 degrees C with a 2 mol% n-butane/98 mol% methane mixture. Permeabilities of permanent gases in Teflon AF 2400 are among the highest of all known polymers; the oxygen permeability coefficient at 25 degrees C is 1600 x 10(-10) cm(3)(STP) cm/cm(2) s cmHg and the nitrogen permeability coefficient is 780 X 10(-10) cm(3)(STP) cm/cm(2) s cmHg. The permeabilities of organic vapors increase up to 20-fold as the vapor activity increases from 0.1 to unity, indicating that Teflon AF 2400 is easily plasticized. Although Teflon AF 2400 is an ultrahigh-free-volume polymer like poly(1-trimethylsilyl-1-propyne) [PTMSP], their gas permeation properties differ significantly. Teflon AF 2400 shows gas transport behavior similar to that of conventional, low-free-volume glassy polymers. PTMSP, on the other hand, acts more like a nanoporous carbon than a conventional glassy polymer.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 29836-26-8. SDS of cas: 29836-26-8.

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

In an article, author is Russo, A, once mentioned the application of 3130-19-6, Name is Bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) adipate, molecular formula is C20H30O6, molecular weight is 366.4486, MDL number is MFCD00191811, category is dioxoles. Now introduce a scientific discovery about this category, HPLC of Formula: C20H30O6.

Perfluoro-4-methyl-1,3-dioxole: a new monomer for high-T-g amorphous fluoropolymers

A 4-Chloro-5-trifluoromethyl-2,2,4-trifluoro-1,3-dioxolane (1) was synthesised by reaction of CF2(OF)(2) with CF3-CH=CFCl; the elimination of HCl from (1) in basic conditions led to the formation of dioxole perfluoro-4-methyl-1,3-dioxole (2). Both these synthetic steps gave the corresponding product in high yield. A new synthetic route for the preparation of CF3-CH=CFCl, starting from CF2ClBr and CH2=CF2, together with some examples of polymerisation products obtained by reaction of dioxole (2) with fluoroolefins are also reported. (C) 2003 Elsevier B.V. All rights reserved.

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

In an article, author is BOURDON, F, once mentioned the application of 43157-50-2, Application In Synthesis of 2-Thioadenosine, Name is 2-Thioadenosine, molecular formula is C10H13N5O4S, molecular weight is 299.3063, MDL number is MFCD00171540, category is dioxoles. Now introduce a scientific discovery about this category.

SYNTHESIS OF ALPHA-OXOSULFINES BY FLASH VACUUM THERMOLYSIS OF 2,3-DIHYDRO-1,4-OXATHIIN S-OXIDES – PHOTOELECTRON-SPECTRUM OF THIOXOETHANAL S-OXIDE

Thioxoethanal S-oxide, as well as its mono and dimethyl derivatives, have been generated, under flash vacuum thermolysis conditions, using the retro-Diels-Alder cleavage of the corresponding 2,3-dihydro-1,4-oxathiin S-oxides. The parent compound, thioxoethanal S-oxide, was characterized by low temperature IR, and in particular photoelectron spectroscopy. The experimental IP’s, as well as the MNDO calculations, are in agreement with the proposed structure [the (E)-s-cis conformation being the most stable], and exclude the formation of the cyclic isomers beta-sulfine and 3-thia-1,2-dioxole. The methyl derivatives were characterised by low temperature IR and NMR spectroscopy, and chemical trapping by 2,3-dimethyl-1,3-butadiene.

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

Let¡¯s face it, organic chemistry can seem difficult to learn. Especially from a beginner¡¯s point of view. Like 91526-18-0, Name is 4-(Hydroxymethyl)-5-methyl-1,3-dioxol-2-one. In a document, author is Li, Weilin, introducing its new discovery. Recommanded Product: 4-(Hydroxymethyl)-5-methyl-1,3-dioxol-2-one.

Melamine Trisulfonic Acid: An Efficient, Heterogeneous and Reusable Catalyst for the Synthesis of 10-Aryl-6,8-dimethyl-6, 10-dihydro-5oxa-6,8-diazaanthra [2,3-d][1,3]dioxole-7,9-diones

Melamine trisulfonic acid was used as an efficient and recyclable catalyst for the one-pot synthesis of 10-aryl-6,8-dimethyl-6,10-dihydro-5-oxa-6,8diazaanthra[2,3-d][1,3] dioxole-7,9-diones by condensation of 3,4-methylene dioxyphenol, aromatic aldehydes and 1,3-dimethylbarbituric acid under solvent-free conditions. Different types of aromatic. aldehydes were used in the reaction and in all cases the products were obtained in good to excellent yields.

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

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 56786-63-1, Name is (2AR,2’R,4S,5’R,6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-2a,4-dihydroxy-5′,6a,8a,9-tetramethylicosahydrospiro[naphtho[2′,1′:4,5]indeno[2,1-b]furan-10,2′-pyran]-2(11aH)-one, molecular formula is C27H42O5. In an article, author is Yin, Cangtao,once mentioned of 56786-63-1, Application In Synthesis of (2AR,2’R,4S,5’R,6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-2a,4-dihydroxy-5′,6a,8a,9-tetramethylicosahydrospiro[naphtho[2′,1′:4,5]indeno[2,1-b]furan-10,2′-pyran]-2(11aH)-one.

How does substitution affect the unimolecular reaction rates of Criegee intermediates?

To gain an understanding of the substitution effect on the unimolecular reaction rate coefficients for Criegee intermediates (CIs), we performed ab initio calculations for CH2OO, CH3CHOO, (CH3)(2)COO, CH3CH2CHOO, CH2CHCHOO and CHCCHOO. The energies of the CIs, products and transition states were calculated with QCISD(T)/CBS//B3LYP/6-311+ G(2d, 2p), while the rate coefficients were calculated with anharmonic vibrational correction by using second order vibrational perturbation theory. It was found that for single bonded substitutions, the hydrogen transfer reaction dominates for the syn-conformers, while the OO bending reaction dominates for the anti-conformers. However once a double bond or a triple bond is added, the OO bending reaction dominates for both syn and anti-conformers. The rate coefficients for OO bending reaction show a significant increase when adding a methyl group or ethyl group. On the other hand, the addition of unsaturated vinyl and acetylene groups usually results in a slower thermal decomposition compared to the substitution with saturated carbon groups. Interestingly, for syn_Syn-CH2CHCHOO, a special five member ring closure reaction forming dioxole was calculated to have an extremely fast rate coefficient of 9312 s(-1) at room temperature.

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

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 3130-19-6, Name is Bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) adipate, molecular formula is C20H30O6, belongs to dioxoles compound. In a document, author is Oh, Chang Ho, introduce the new discover, COA of Formula: C20H30O6.

Au(I)-Catalyzed Hydrative Rearrangement of 1,1-Diethynylcarbinol Acetates to Functionalized Cyclopentenones and Allenones

Atom-economical syntheses of isomeric 5-acetoxy-2-alkyl-2-cyclopentenones (2) and acetoxymethyl (x-alkylailen ones (3) have been described via Au-catalyzed hydrative rearrangement of 1,1-diethynyl-carbinol acetates (1). In anhydrous condition, Au(I)-catalyzed [3,3]-rearrangement of 1 afforded the 3-alkynylallenyl acetate 4 in low yield. Treatment of 1 with Au(I) catalyst in wet CH2Cl2 produced either 2 or 3 as a major product depending on the temperature, reaction time. and catalyst loading. D has been proposed as an intermediate, which might be formed via Au(I)-induced internal oxacyclization of the intermediate 4 followed by chemoselective nucleophilic attack by the water molecule. Formation of 2 or 3 might be explained via sequential 1,3-dioxole ring opening and gold-promoted 5-endo-dig carbocyclization or simple protonation of the intermediate D, respectively.

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 3130-19-6. COA of Formula: C20H30O6.

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. 10323-20-3, Name is D-Arabinose, molecular formula is C5H10O5. In an article, author is Yampolskii, YP,once mentioned of 10323-20-3, Product Details of 10323-20-3.

Study of high permeability polymers by means of the spin probe technique

The spin probe technique was systematically applied to study a family of high permeability and high free volume glassy polymers. Rotation correlation times tau(c) Or frequencies nu = 1/tau(c) of 2,2,6,6-tetramethylpyperidine-1-oxyl (TEMPO) were measured in amorphous teflons – random copolymers of tetrafluoroethylene and 2,2-bistrifluoromethyle-4,5-difluoro-1,3-dioxole, polyacetylenes and polynorbornenes. Polymers distinguished by unusually high, for the glassy state, permeability and free volume exhibit large rotational mobility of TEMPO. The correlation times correspond to fast rotation of the spin probe previously observed only in rubbery polymers, Correlations between the frequency nu and gas permeability and diffusion coefficients were observed. However, in some polymers, the spin probe’s rotation rate is also sensitive to side-chain local mobility, which does not affect translational diffusion coefficients of gas molecules in polymers. (C) 1999 Elsevier Science Ltd. All rights reserved.

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

Chemistry can be defined as the study of matter and the changes it undergoes. You¡¯ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 67217-55-4, Name is Mono-(6-p-toluenesulfonyl)-¦Â-cyclodextrin, molecular formula is , belongs to dioxoles compound. In a document, author is Thurston, DE, SDS of cas: 67217-55-4.

Effect of A-ring modifications on the DNA-binding behavior and cytotoxicity of pyrrolo[2,1-c] [1,4]benzodiazepines

Several A-ring-modified analogues of the DNA-binding antitumor agent DC-81 (5) have been synthesized in order to study structure-reactivity/cytotoxicity relationships. For two molecules (23 and 30) the modifications required the addition of a fourth ring to give the novel dioxolo-[4,5-h]- and dioxano[5,6-h]pyrrolo[2,1-c][1,4]benzodiazepin-11-one (PBD) ring systems, respectively. Another three analogues (34, 38, and 48) have the native benzenoid A-ring replaced with pyridine, diazine, or pyrimidine rings to give the novel pyrrolo[2,1-c][1,4]pyridodiazepine, pyrrolo[2,1-c][1,4]diazinodiazepine, and pyrrolo[2,1-c][1,4]pyrimidinodiazepine systems, respectively. The other new analogues (16a,b) have extended chains at the C8-position of the DC-81 structure. During the synthesis of these compounds, a novel tin-mediated regiospecific cleavage reaction of the dioxole intermediate 18 was discovered, leading to the previously unknown iso-DC-81 (20). In addition, an unusual simultaneous nitration-oxidation reaction of 4-(3-hydroxypropoxy)-3-methoxybenzoic acid (8) was found to produce 3-(4-carboxy-2-methoxy-5-nitrophenoxy)propanoic acid (9), a key intermediate, in high yield. In general, the results of cytotoxicity and DNA-binding studies indicated that none of the changes made to the A-ring of the PBD system significantly improved either binding affinity or cytotoxicity in comparison to DC-81. This result suggests that the superior potency of natural products such as anthramycin (1), tomaymycin (2), and sibiromycin (3) is due entirely to differences in C-ring structure, and in particular exo or endo unsaturation at the C2-position and C2-substituents containing unsaturation. This study also provided information regarding the influence of A-ring substitution pattern on the relative stability of the interconvertible N10-C11 carbinolamine, carbinolamine methyl ether, and imine forms of PBDs.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 67217-55-4, in my other articles. SDS of cas: 67217-55-4.

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