Category: 18362-64-6

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2,6-Dimethyl-3,5-heptanedione(SMILESS: CC(C)C(CC(C(C)C)=O)=O,cas:18362-64-6) is researched.Related Products of 435294-03-4. The article 《Equilibrium in the Catalytic Condensation of Carboxylic Acids with Methyl Ketones to 1,3-Diketones and the Origin of the Reketonization Effect》 in relation to this compound, is published in ACS Omega. Let’s take a look at the latest research on this compound (cas:18362-64-6).

Acetone is the expected ketone product of acetic acid decarboxylative ketonization reaction with metal oxide catalysts used in the industrial production of ketones and for biofuels upgrade. Decarboxylative cross-ketonization of a mixture of acetic and isobutyric acids yields highly valued unsym. Me iso-Pr ketone (MIPK) along with two less valuable sym. ketones, acetone and diisopropyl ketone (DIPK). We describe a side reaction of isobutyric acid with acetone yielding the cross-ketone MIPK with monoclinic zirconia and anatase titania catalysts in the absence of acetic acid. We call it re-ketonization reaction because acetone is deconstructed and used for the construction of MIPK. Isotopic labeling of the isobutyric acid’s carboxyl group shows that it is the exclusive supplier of the carbonyl group of MIPK, while acetone provides only Me group for MIPK construction. More branched ketones, MIPK or DIPK, are less reactive in their re-ketonization with carboxylic acids. The proposed mechanism of re-ketonization supported by DFT computations starts with acetone enolization and proceeds via its condensation with surface isobutyrate to a beta-diketone similar to beta-keto acids formation in the decarboxylative ketonization of acids. Decomposition of unsym. beta-diketones with water (or methanol) by the retro-condensation reaction under the same conditions over metal oxides yields two pairs of ketones and acids (or esters in case of methanol) and proceeds much faster compared to their formation. The major direction yields thermodynamically more stable products – more substituted ketones. DFT calculations predict even a larger fraction of the thermodynamically preferred pair of products. The difference is explained by some degree of a kinetic control in the opposite direction. Re-ketonization has lower reaction rates compared to regular ketonization. Still, a high extent of re-ketonization occurs unnoticeably during the decarboxylative ketonization of acetic acid as the result of acetone reaction with acetic acid. This degenerate reaction is the major cause of the inhibition by acetone of its own rate of formation from acetic acid at high conversions.

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Electric Literature of C9H16O2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 2,6-Dimethyl-3,5-heptanedione, is researched, Molecular C9H16O2, CAS is 18362-64-6, about Enthalpies of combustion of four methyl-substituted heptane-3,5-diones and benzoylacetone. Author is Ferrao, Maria Luisa C. C. H.; Ribeiro da Silva, M. A. V.; Suradi, S.; Pilcher, G.; Skinner, H. A..

The standard enthalpies of combustion of 2,2- and 2,6-dimethyl-, 2,2,6-trimethyl-, and 2,2,6,6-tetramethyl-3,5-heptanediones and PhCOCH2COMe (I) in O at 298.15 K were measured in a static bomb calorimeter. The standard enthalpies of formation of these ketones were calculated for the keto-enol equilibrium mixtures in the condensed state and for the liquid and gaseous enol forms from the above results. An estimate of the enthalpy of formation of I suggests that it exists predominantly in the enol form in the gaseous state.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Martin-Ramos, P.; Lavin, V.; Ramos Silva, M.; Martin, I. R.; Lahoz, F.; Chamorro-Posada, P.; Paixao, J. A.; Martin-Gil, J. researched the compound: 2,6-Dimethyl-3,5-heptanedione( cas:18362-64-6 ).Computed Properties of C9H16O2.They published the article 《Novel erbium(III) complexes with 2,6-dimethyl-3,5-heptanedione and different N,N-donor ligands for ormosil and PMMA matrices doping》 about this compound( cas:18362-64-6 ) in Journal of Materials Chemistry C: Materials for Optical and Electronic Devices. Keywords: erbium methylheptanedione bipy phen preparation IR luminescence quenching lifetime; ormosil PMMA dispersed erbium methylheptanedione bipy phen waveguide amplifier; crystal structure erbium methylheptanedione bipy phen. We’ll tell you more about this compound (cas:18362-64-6).

Three novel complexes, [Er(dmh)3(bipy)], [Er(dmh)3(bath)] and [Er(dmh)3(5NO2phen)], with 2,6-dimethyl-3,5-heptanedione (Hdmh) as the main sensitizer and either 2,2′-bipyridine (bipy), bathophenanthroline (bath) or 5-nitro-1,10-phenanthroline (5NO2phen) as synergistic ligands were synthesized. Upon excitation at the maximum absorption of the ligands, the complexes show the characteristic near-IR (NIR) luminescence of the Er3+ ions, due to efficient energy transfer from the ligands to the central Er3+ ion via the antenna effect. Single crystals were grown and their structures were determined showing different Er-N distances. The compound with shorter Er-N distances, [Er(dmh)3(5NO2phen)], is the best light harvester and the best for transferring the energy to the lanthanide among the three studied compounds Finally, the novel complexes were assessed for their application in sol-gel and polymer-based waveguides and optical amplifiers through their inclusion into ormosil and polymethylmethacrylate matrixes. The dispersion was successful in the bipy and 5NO2phen cases, with the properties of the hybrid materials mimicking those of the pure complexes.

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 18362-64-6, is researched, Molecular C9H16O2, about Regioselective Rhodium-Catalyzed Addition of 1,3-Dicarbonyl Compounds to Terminal Alkynes, the main research direction is regioselective rhodium catalyst addition dicarbonyl compound alkyne.Application of 18362-64-6.

A new method for the rhodium-catalyzed regioselective C-C bond formation using terminal alkynes and 1,3-dicarbonyl compounds to achieve valuable branched α-allylated 1,3-dicarbonyl products is reported. With a Rh(I)/DPEphos/p-CF3-benzoic acid as the catalyst system, the desired products can be obtained in good to excellent yields and with perfect regioselectivity. A broad range of functional groups were tolerated, and first exptl. insights of a plausible reaction mechanism were obtained.

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Guo, Ruiqiang; Zhu, Chuanlei; Sheng, Zhe; Li, Yanzhe; Yin, Wei; Chu, Changhu published an article about the compound: 2,6-Dimethyl-3,5-heptanedione( cas:18362-64-6,SMILESS:CC(C)C(CC(C(C)C)=O)=O ).Quality Control of 2,6-Dimethyl-3,5-heptanedione. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:18362-64-6) through the article.

An inexpensive silica sulfuric acid (SSA) mediated acylation of amines with 1,3-diketones via C-C bond cleavage was realized under solvent and transient metal free conditions. In this chem., both catalytic aerobic oxidative and hydrolyzed C-C bond cleavage were coexisted. Furthermore, the activation of mol. oxygen by non-transient metal catalyst (SSA) was disclosed.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Steric effects on the formation constant of metal chelates of β-diketones》. Authors are Guter, G. A.; Hammond, G. S..The article about the compound:2,6-Dimethyl-3,5-heptanedionecas:18362-64-6,SMILESS:CC(C)C(CC(C(C)C)=O)=O).SDS of cas: 18362-64-6. Through the article, more information about this compound (cas:18362-64-6) is conveyed.

Formation constants for the chelates of bivalent ions of Cu, Ni, Mg, Co, and Mn, with acetylacetone, dipivaloylmethane, and diisobutyrylmethane were determined by potentiometric titration with KOH solution Titrations of solutions of metal ion, β-diketone, and KClO4 in 1:3 water-dioxane were performed under N. For acetylacetone, diisobutyrylmethane, and dipivaloylmethane, the metal ion, log K1, and log K2, are listed: Cu(II), 11.57, 9.64, 12.29, 9.99, 13.91, 11.55; Ni(II), 8.24, 6.39, 8.73, 7.56, 9.90, 9.10; Co(II), 7.86, 6.19, 8.37, 7.31, 9.60, 8.77; Mn(II), 6.81, 5.18, 7.23, 6.07, 8.34, 7.44; Mg(II), 6.13, 4.52, 6.45, 5.44, 7.44, 6.59. Stabilities of each series of chelates increase in the order acetylacetone, diisobutyrylmethane, dipivaloylmethane. The effect of the larger alkyl groups is more pronounced in the Cu chelates, which are of square planar configuration, than in the other chelates, which probably are of tetrahedral configuration. Acid dissociation constants of the β-diketones were determined at 25° (the diketone, solvent, method, and pKa are given): dipivaloylmethane, 1:1 dioxane-water, spectrophotometric absorption at 294 mμ, 13.23; dipivaloylmethane, water, spectrophotometric absorption at 294 mμ, 11.77; acetylacetone, 3:1 dioxane-water 0.05 molar KClO4, potentiometric titration, 11.27; diisobutyrylmethane, 3:1 dioxane-water 0.05 molar KClO4, potentiometric titration, 12.48; dipivaloylmethane, 3:1 dioxane-water 0.05 molar KClO4, potentiometric titration, 14.48. β-diketones may assume structures I or II in oxo form. Extent of enolization is related to the size of the R groups, and increases in the order acetylacetone, dipivaloylmethane, diisobutyrylmethane. II, in which the steric hindrance to rotation between the R groups is min., and the repulsion between the carbonyl dipoles is maximum, can be stabilized through enolization to III. Mol. models of dipivaloylmethane and diisobutyrylmethane can be constructed in form II, but not in form I. Correlations were observed between the pKa of the β-diketone, the kinetics of its enolization, and the kinetics of hydrolysis of esters of corresponding structure. Li is quantitatively and selectively separated from sq. solutions of alkali metal hydroxides by extraction with 0.1N solutions of dipivaloylmethane in ether. The small size of the Li atom compared with the Na and K atoms permits Li to replace the H atom as a shield between O atoms of dipivaloylmethane. Ether acts as solvent for chelated Li because of relatively large organic portion of mol.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 2,6-Dimethyl-3,5-heptanedione, is researched, Molecular C9H16O2, CAS is 18362-64-6, about Kinetics of proton transfer of 3,5-heptanedione, 2,6-dimethyl-3,5-heptanedione, and dibenzoylmethane with amines in 50% dimethyl sulfoxide-50% water. Effect of steric crowding and π-overlap on intrinsic rate constants.Formula: C9H16O2.

Rates of reversible deprotonation of 3,5-heptanedione (I), 2,6-dimethyl-3,5-heptanedione (II), and dibenzoylmethane (III) by several primary aliphatic amines, by piperidine and morpholine, and by hydroxide ion (I and III only) have been measured in 50% Me2SO-50% water (volume/volume) at 20°. Apparent pKa’s as well as the pKa values of the keto and the enol forms, and the enolization equilibrium constants (KT) were also determined The pKa and KT values show the same trends observed previously in water. The intrinsic rate constants for the reactions of I and II with a given family of amines (primary aliphatic or secondary alicyclic) are the same and also equal to those for the reaction of acetylacetone (IV) with the same amines determined previously. These results indicate that steric effects play an insignificant role in the reactions of I, II, and IV. The intrinsic rate constants for the deprotonation of III are approx. three fold lower than for I, II, and IV. This reduction is shown not be caused by a steric effect but by π-overlap with the Ph groups in the enolate ion.

From this literature《Kinetics of proton transfer of 3,5-heptanedione, 2,6-dimethyl-3,5-heptanedione, and dibenzoylmethane with amines in 50% dimethyl sulfoxide-50% water. Effect of steric crowding and π-overlap on intrinsic rate constants》,we know some information about this compound(18362-64-6)Formula: C9H16O2, but this is not all information, there are many literatures related to this compound(18362-64-6).

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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 18362-64-6, is researched, SMILESS is CC(C)C(CC(C(C)C)=O)=O, Molecular C9H16O2Journal, Analytica Chimica Acta called Solvent extraction of metals by alkyl-substituted β-diketone, Author is Koshimura, Hidio; Okubo, Teiji, the main research direction is solvent extraction metal; extraction metal solvent; diketone solvent extraction metal; palladium solvent extraction; iron solvent extraction; aluminum solvent extraction; copper solvent extraction; zinc solvent extraction; nickel solvent extraction; cobalt solvent extraction; manganese solvent extraction; cadmium solvent extraction.SDS of cas: 18362-64-6.

The extractions of Pd2+, Fe3+, Al3+, Cu2+, Zn2+, Ni2+ Co2+, Mn2+, and cd2+ by solutions of dipropionylmethane, diisobutyrylmethane, pivaloylacety lmethane, and dipivaloylmethane in benzene were studied in relation to the pH values for extraction The extraction constants and 2-phase stability constants of the β-diketonates were calculated These can be used to establish the optimum conditions for the separation of the metals.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Tetrahedron: Asymmetry called Asymmetric synthesis of (3R,5R)- and (3S,5S)-2,6-dimethylheptane-3,5-diol, useful C2 chiral auxiliaries, Author is Jacoby, C.; Braekman, J. C.; Daloze, D., which mentions a compound: 18362-64-6, SMILESS is CC(C)C(CC(C(C)C)=O)=O, Molecular C9H16O2, Synthetic Route of C9H16O2.

(R,R)- and (S,S)-2,6-dimethylheptane-3,5-diol, which are useful C2 chiral auxiliaries, have been both synthesized in high optical purity from 2,6-dimethylheptane-3,5-dione, by using as key step a Sharpless kinetic resolution

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SDS of cas: 18362-64-6. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2,6-Dimethyl-3,5-heptanedione, is researched, Molecular C9H16O2, CAS is 18362-64-6, about Direct measurement of enantiomerization of labile aluminum(III) β-diketonates. Author is Springer, Charles S. Jr.; Jurado, Berardo.

Dynamic NMR studies of the hexaccordinate Al complexes, tris-(2,6-dimethylheptane-3,5-dionato)aluminum(III) (AlL3) and bis(pentane-2,4-dionato)(2,6-dimethylheptane-3,5-dionato)-aluminum(III) (AlL2’L), indicate rapid enantiomerization of these complexes. In all solvents studied at room temperature, the spin-coupled doublet of the iso-Pr group of the free ligand LH appeared as a quartet in AlL3. Splitting of the doublet is due to total mol. dissymmetry centered at the Al. On heating, the quartet coalesced to a doublet (120° in chlorobenzene). Activation energy of enantiomerization 14.7 kcal/mole and free energy of activation at the coalescence temperature 21.8 kcal/mole were unchanged on reducing concentration of AlL3. The reaction is unimol. In AlL’2L, enantiomerization occurs simultaneously with L’-methyl exchange; activation energy of enantiomerization is lower than that of Me exchange (∼18 kcal/mole) by a factor of 2.

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