Day: August 11, 2021

When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. 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, in an article , author is Hamer, Sebastian, once mentioned of 29836-26-8, Reference of 29836-26-8.

We report the synthesis of five dicarboxylic acid-substituted dipolar molecular rotors for the use as linker molecules in metalorganic frameworks (MOFs). The rotor molecules exhibit very low rotational barriers and decent to very high permanent, charge free dipole moments, as shown by density functional theory calculations on the isolated molecules. Four rotors are fluorescent in the visible region. The linker designs are based on push-pull-substituted phenylene cores with ethynyl spacers as rotational axes, functionalized with carboxylic acid groups for implementation in MOFs. The substituents at the phenylene core are chosen to be small to leave rotational freedom in solids with confined free volumes. The dipole moments are generated by electron-donating substituents (benzo-1,3-dioxole, benzo-1,4-dioxane, or benzo-2,1,3-thiadiazole annelation) and withdrawing substituents (difluoro, or dicyano substitution) at the opposite positions of the central phenylene core. A combination of 1,4-dioxane annelation and dicyano substitution generates a theoretically predicted, very high dipole moment of 10.1 Debye. Moreover, the molecules are sufficiently small to fit into cavities of 10 angstrom(3). Hence, the dipolar rotors should be ideally suited as linkers in MOFs with potential applications as ferroelectric materials and for optical signal processing.

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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. 10323-20-3, Name is D-Arabinose, SMILES is O=C[C@@H](O)[C@H](O)[C@H](O)CO, belongs to dioxole compound. In a document, author is GALLAGHER, T, introduce the new discover, Product Details of 10323-20-3.

5-(2,2-Dimethyl-4a,6,7,7a-tetrahydro-2H,-4H-[1,3]dioxino[5,4-b]pyrrol-4-yl)-2,2-dimethyl-4,5-dihydro-2H-1,3-dioxole-4-methanol, C14H25NO5, M(r) =287.4, trigonal, P3(2)21, a = 11.831 (2), c = 19.948 (7) angstrom, V = 2418.1 angstrom3, Z = 6, D(x) = 1.18 g cm-3, A(Mo Ka) = 0. 71069 angstrom, mu = 0.54 cm-1, F(000) = 936, room temperature, R = 0.0707, wR = 0.0780 for 1628 unique reflections. The structure of the title compound shows it to contain S, R, S stereochemistry at C1, C8a and C8 (castanospermine numbering), respectively. Molecules dimerize in a head-to-tail manner in the solid state through O-H…N hydrogen bonds.

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

Chemistry graduates have much scope to use their knowledge in a range of research sectors, including roles within chemical engineering, chemical and related industries, healthcare and more. HPLC of Formula: https://www.ambeed.com/products/51166-71-3.html51166-71-3, Name is 2,6-Di-O-methyl-β-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 dioxole compound. In a article, author is Amiri-Attou, O, introduce new discover of the category.

We report herein the synthesis of substituted 2-(6-nitrobenzo[1,3]dioxol-5-yl)-1-aryl ethanols and 2-(6-nitrobenzo[1,3]dioxol-5-yl)-propionic acid ethyl esters from the reaction of 5-chloromethyl-6-nitrobenzo[1,3]dioxole with various aromatic carbonyl and alpha-carbonyl ester derivatives using the tetrakis(dimethylamino)ethylene (TDAE) methodology.

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

Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. 85-61-0, Name is Coenzyme A, SMILES is CC(COP(O)(OP(O)(OC[C@](O1)([H])[C@](OP(O)(O)=O)([H])[C@](O)([H])[C@]1([H])N2C=NC(C2=NC=N3)=C3N)=O)=O)(C(O)([H])/C(O)=N/CC/C(O)=N/CCS)C, in an article , author is Behre, Joern, once mentioned of 85-61-0, Recommanded Product: 85-61-0.

Proline is a proteinogenic amino acid in which the side chain forms a ring, the pyrrolidine ring. This is a five-membered ring made up of four carbons and one nitrogen. Here, we study the evolutionary significance of this ring size. It is shown that the size of the pyrrolidine ring has the advantage of being nearly planar and strain-free, based on a general mathematical assertion saying that the angular sum of a polygon is maximum if it is planar and convex. We also provide a sketch of the proof to this assertion. The optimality of the ring size of proline can be derived from a triangle inequality for angles. Quasi-planarity is physiologically significant because it allows an easier and evolutionarily old type of fit into binding grooves of proteins with which proline-rich proteins interact. Finally, we present a comparison with other planar, nearly planar and non-planar biomolecules such as neurotransmitters, hormones and toxins, involving, for example, aromatic rings, cyclopentanone and 1,3-dioxole.

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

While the job of a research scientist varies, most chemistry careers in research are based in laboratories, where research is conducted by teams following scientific methods and standards. Formula: https://www.ambeed.com/products/106-91-2.html106-91-2, Name is Oxiran-2-ylmethyl methacrylate, SMILES is CC(C(OCC1OC1)=O)=C, belongs to dioxole compound. In a article, author is Kennedy, GL, introduce new discover of the category.

Four chemicals (Dioxole 418, Dioxolane 418, Dioxolane 416 and Dioxolane 456) which are used as stabilizers in highresolution image were tested or both their acute and repeated inhalation toxicity in the rat using nose-only exposures. Acute studies determined the lethal concentrations following a single 4-hour exposure, repeated exposure inhalation studies determined the potency and target tissue(s) following 6-hour/day exposures, 5 days/week for 2 weeks. Each of the chemicals was at least mildly toxic acutely with approximate lethal concentrations of > 1,500 ppm for Dioxole 418, 1,300 ppm for Dioxolane 418, 1,700 ppm for Dioxolane 416, and 4,300 ppm for Dioxolane 456. No specific unusual clinical signs of response were seen in the rats exposed acutely. Repeated exposures with Dioxole 418 and Dioxolane 418 resulted in no evidence of toxicity with NOAEL’s being 440 and 500 ppm respectively (the highest concentrations tested). Repeated exposures to 250 ppm Dioxolane 456 were not tolerated with mortalities observed after exposure. Severe bone marrow hypoplasia along with reductions in platelet and neutrophil counts were observed at this concentration with less severe hemopoietic changes seen also at 10 and 51 ppm. The no-effect level for Dioxolane 456 was determined to be 10 ppm in female rats and I ppm in males. The same hemopoietic effects were seen with Dioxolane 416 at exposures of 53 ppm or greater in males but not in females exposed to 53 ppm Dioxolane 416. Hepatocellular hypertrophy and depression of serum alkaline phosphatase activity were seen in male rats exposed to 500 but not 53 ppm Dioxolane 416. Testicular degeneration was also seen in rats exposed to 500 ppm Dioxolane 416. The NOAEL was 5 ppm for the chemical.

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

Chemistry involves the study of all things chemical – chemical processes, chemical compositions and chemical manipulation – in order to better understand the way in which materials are structured, how they change and how they react in certain situations. 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, in an article , author is Zukerman-Schpector, Julio, once mentioned of 29836-26-8, COA of Formula: https://www.ambeed.com/products/29836-26-8.html.

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 research progress on 28053-08-9 in 2021. Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. In an article, author is Tang, John, once mentioned the application of 28053-08-9, Synthetic Route of 28053-08-9, 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.

Dehydration of aprotic solvents, frequently needed in pharmaceutical processing, can be implemented easily by vacuum-based pervaporation employing a novel perfluoropolymer-based membrane: perfluoro-2,2-dimethyl-1,1,3-dioxole copolymerized with tetrafluoroethylene (PDD-TFE). Possessing one of the highest fractional free volumes, this polymer is resistant to most solvents including N,N-dimethyl formamide (DMF), N,N-dimethylsulfoxide (DMSO), and N,N-dimethylacetamide (DMAc). Results were obtained using a 25 mu m thick dense polymeric membrane supported by a porous polytetrafluoroethylene (PTFE) sheet. Maximum water flux values found for a 90 wt% aprotic solvent feed were as follows: 77 g/(m(2) h) for DMF-water mixture at 50 degrees C; 9.8 g/(m(2) h) for DMSO-water mixture at 30 degrees C; 9 g/(m(2) h) for DMAc-water mixture at 50 degrees C. Excellent pervaporation separation factors for water over these aprotic solvents were obtained for mixtures containing 1, 5 and 10 wt% water in the temperature range 30-60 degrees C. The separation factors varied between 1000 and 12,000 depending on the water content, temperature and the solvent species. Such highly selective water removal in pervaporation has been achieved earlier in dehydration of ethanol by NaA zeolite membranes which however achieve an order of magnitude lower selectivity in for example, DMF-water system. (C) 2012 Elsevier B.V. All rights reserved.

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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. 3458-28-4, Name is (2S,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanal, SMILES is O=C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O, in an article , author is Taskinen, E, once mentioned of 3458-28-4, Recommanded Product: 3458-28-4.

The O-17 NMR spectra of a number of unsaturated 5-membered cyclic acetals, 2-substituted 4-methylene- 1,3-dioxolanes and their endocyclic isomers, 4-methyl-1,3-dioxoles, have been recorded. The O-17 NMR chemical shifts, in comparison with those of similarly 2-substituted 1,3-dioxolanes, were used to explore the variation of the strength of p-pi conjugation in the unsaturated acetals as a function of the nature of substitution at C2. The O-17 NMR shift data reveal that alkoxy substituents have a significantly more favorable effect on the strength of p-pi conjugation in 4-methyl-1,3-dioxoles than in 4-methylene-1,3-dioxolanes. This fact appears to be responsible for the previously observed unexpectedly large effect of alkoxy substitution on the relative thermodynamic stabilities of these two classes of isomeric compounds. Additional information of the unexpected charge distribution in 4-methyl-1,3-dioxoles is provided by their H-1 and C-13 NMR spectra.

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

Healthcare careers for chemists are once again largely based in laboratories, although increasingly there is opportunity to work at the point of care, helping with patient investigation. 51166-71-3, Name is 2,6-Di-O-methyl-β-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 Wang, ZG, once mentioned of 51166-71-3, Safety of 2,6-Di-O-methyl-β-cyclodextrin.

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.

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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. 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, in an article , author is Pinnau, I, once mentioned of 29836-26-8, Recommanded Product: Octyl β-D-glucopyranoside.

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.

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