Month: December 2022

Rewcastle, Gordon W. published the artcileUnequivocal synthesis of substituted thiazolo[3,2-a]benzimidazoles, Related Products of alcohols-buliding-blocks, the main research area is thiazolobenzimidazole preparation.

An unequivocal route to individual substituted thiazolo[3,2-a]benzimidazole isomers I (R1 = H, Me; R2 = H, Me; R3 = H, OMe; R4 = CF3, OMe, NH2, etc.; R5 = H, OMe) has been developed, involving the acid-catalyzed intramol. condensation of dialkylacetals with the sulfur atom of benzimidazole-2-thiones II. Products I are isolated without isomerization, in contrast to several literature methods.

ARKIVOC (Gainesville, FL, United States) published new progress about Aromatic diamines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Almasi, Mohammad published the artcileThermodynamic study of interactions between 1-alkanol and butanone, Formula: C8H18O, the main research area is thermodn Kirkwood Buff model alkanol butanone mixture solvation structure.

To obtain the new perspectives on the mol. interactions in the binary systems of butanone and a homologous series of 1-alkanol from 1-pentanol up to 1-decanol, these mixtures were studied using the Kirkwood-Buff (KB) formalism and preferential solvation anal. The results were confirmed using the exptl. excess molar volumes. KB integrals Gij, the excess or deficit number Δnij, and solvation coefficients δij are reported here. Anal. of obtained data regarding the KB formalism and preferential solvation reveals that interactions strength in mixtures depends on the butanone concentration and size of 1-alkanol. Also, interactions between similar mols. are remarkable and become stronger as the length of the alc. increases. Furthermore, mixtures structure was studied using the concentration-concentration structure factor, SCC(0). Results from application of this parameter show that the homo-coordination occurs in solutions Steric effects lead to the stronger orientations in the mentioned mixtures

Chemical Physics published new progress about Density. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Almasi, Mohammad published the artcileKirkwood-Buff Integrals, Excess Volume, and Preferential Solvation in Pentanoic Acid/(C5-C10) 1-Alkanol Binary Mixtures, Product Details of C8H18O, the main research area is Kirkwood Buff integral excess volume solvation pentanoic acid alkanol.

In order to study the nature, type, and magnitude of interactions in the binary mixtures of pentanoic acid and a series of 1-alkanols from 1-pentanol up to 1-decanol, Kirkwood integrals along with the exptl. methods have been used and reported at T = 298.15 K. Neg. values of VEm, Gii, Gij, Δnii, Δnij, and δii and pos. values of Gij, Δnij, and δij indicate the fact that in the mixtures the tendency of the unlike mol. components to form the new interactions and stay together is much higher than the pure state. Investigating the changes in the calculated quantities for different mixtures shows that with the increase in the length of the alc. chain the tendency of the heterogeneous mols. to interact with each other decreases. Variations in the VEm values are in the same direction as the Kirkwood integrals, and mentioned data for binary systems are reported for the first time.

Journal of Chemical & Engineering Data published new progress about Density. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Product Details of C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Khedri, Zohrab published the artcileThermodynamic Properties of 1-Hexyl-3-methylimidazolium Nitrate and 1-Alkanols Mixtures: PC-SAFT Model, Category: alcohols-buliding-blocks, the main research area is thermodn property PCSAFT hexylmethylimidazolium nitrate binary mixture alkanol.

To study the type, nature, and amount of interactions in binary systems including 1-hexyl-3-methylimidazolium nitrate ([Hmim][NO3]) ionic liquid and a homologous series of 1-alkanols (1-hexanol up to 1-decanol), some thermophys. properties via d. and viscosity measurements were calculated at temperatures of 293.15-323.15 K. Also, to study the behavior of systems with temperature, values of the thermal expansion coefficient, α, excess thermal expansion coefficient, αE, isothermal coefficient of excess molar enthalpy, (∂HEm/∂P)T,x, and partial molar volume, V̅i, for five binary mixtures at various temperatures were calculated Findings demonstrate that strong interactions between the mixture components occur and intermol. forces become weaker with the increase in the length of the alc. chain and temperature For a theor. study of mentioned mixtures, perturbed-chain statistical associating fluid theory was implemented. The d. and partial molar volume of mixtures were correlated and predicted by this theory, and the results show that outcomes are fairly consistent with the exptl. data.

Journal of Chemical & Engineering Data published new progress about Density. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chen, Yi published the artcileThe O1/H3-preferred 1:1 H-bonding and the electron-cloud migration induced by H-bonding or non-specific interactions: A systematic study on the interactions between dimethyl phthalate and 1-, 2- or 3-alkanol (C2-C6), Name: 3-Pentanol, the main research area is dimethyl phthalate aliphatic alc hydrogen bond IR spectra.

H-bonding and non-specific interactions between di-Me phthalate (DMP) and different human body substances were considered to be mainly responsible for various health dysfunctions. However, the manner of H-bonding and the adaptability of the structure of DMP that may underpin the H-bonding/non-specific interactions have been difficult to assess and remain elusive. In this study, we set out to gain an insight into the subjects above through a systematic investigation on the interactions between DMP and 1-, 2- or 3-alkanol (C2 – C6). We calculated the H-bond distances, the C=O and C-O bond lengths and other selected structural essentials at B3LYP 6-311G(d) level. We recorded the IR spectra Band I and Band II of C=O of DMP when dissolving DMP into 11 different alkanol/n-Hexane binary solvent systems. We created and fit the equations to delineate the dependence of the absorption intensity ratio of Band II to Band I (AII/AI) on the volume-ratio of the alkanol component (x). Based on the equations, we obtained the percent of the major alkanol associates (-p), the binding constant of the 1:1 and 1:2 DMP-alkanol complexes (K1 and K2) and the ratio of the molar absorptivity of H-bonded C=O to the molar absorptivity of non-bonded C=O (εhb/εns). The -p, K1, K2 and εhb/εns values confirmed the calculated results. It can be concluded that H-bonds mainly form the 1:1 complexes at O1 and H3, leading to species O5-H1···O1 = C1 for 3-alkanols and species O5-H1···O1 = C1 and Ph-H3···O5 for 2-alkanols. The differences of the affinity of H-bonding were mainly attributed to the steric hindrance and to a lesser extent to the hydrophobic interactions and the multi-H-bond cooperativity. The electron-cloud of the DMP mol. was supposed to migrate mainly in the E1 or E4 mode to adapt to the H-bonding or non-specific interactions, resp.

Journal of Molecular Liquids published new progress about C-O bond length. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Name: 3-Pentanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bolle, Jennifer published the artcileIsomeric effects in structure formation and dielectric dynamics of different octanols, Related Products of alcohols-buliding-blocks, the main research area is octanol cluster aggregate hydrogen bond supramol structure.

The understanding of the microstructure of associated liquids promoted by hydrogen-bonding and constrained by steric hindrance is highly relevant in chem., physics, biol. and for many aspects of daily life. In this study we use a combination of X-ray diffraction, dielec. spectroscopy and mol. dynamics simulations to reveal temperature induced changes in the microstructure of different octanol isomers, i.e., linear 1-octanol and branched 2-, 3- and 4-octanol. In all octanols, the hydroxyl groups form the basis of chain-, cyclic- or loop-like bonded structures that are separated by outwardly directed alkyl chains. This clustering is analyzed through the scattering pre-peaks observed from X-ray scattering and simulations. The charge ordering which pilots OH aggregation can be linked to the strength of the Debye process observed in dielec. spectroscopy. Interestingly, all methods used here converge to the same interpretation: as one moves from 1-octanol to the branched octanols, the cluster structure evolves from loose large aggregates to a larger number of smaller, tighter aggregates. All alcs. exhibit a peculiar temperature dependence of both the pre-peak and Debye process, which can be understood as a change in microstructure promoted by chain association with increased chain length possibly assisted by ring-opening effects. All these results tend to support the intuitive picture of the entropic constraint provided by branching through the alkyl tails and highlight its capital entropic role in supramol. assembly.

Physical Chemistry Chemical Physics published new progress about Clusters. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Almasi, Mohammad published the artcileMeasurement of the Density and Viscosity of Diisopropyl Ether and 1-Alkanol Mixtures at Various Temperatures, Related Products of alcohols-buliding-blocks, the main research area is density viscosity diisopropyl ether binary mixture alkanol pentanol decanol.

The current study was aimed to investigate intermol. forces in six binary associating systems containing diisopropyl ether (DIPE) and normal alcs. (1-pentanol to 1-decanol) at 293.15-323.15 K. The d. and viscosity of binary fluids were measured, and excess functions and partial volumes were calculated Excess volumes and deviation in the viscosity are neg. for all the above solutions Intermol. forces in mixtures are adjusted by mol. packing, dispersion forces, and hydrogen bonding. According to the findings, lengthening the alc. chain increases intermol. forces between mols. of different types. Most d. and viscosity values are new and have not been reported in scientific papers yet.

Journal of Chemical & Engineering Data published new progress about Binary mixtures, liquid. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Almasi, Mohammad published the artcileDensities and Viscosities of Binary Mixtures Containing Methyl Isobutyl Ketone and (C6-C10) 1-Alkanol, Category: alcohols-buliding-blocks, the main research area is density viscosity solubility methyl isobutyl ketone alkanol binary mixture.

In the present study, to identify the governing intermol. interactions in the binary mixtures of Me iso-Bu ketone (MIBK) and 1-alkanols (1-hexanol up to 1-decanol), exptl. values of d. and viscosity at temperatures (293.15 to 323.15 K) were reported. Excess molar volumes (VmE) and viscosity deviations (Δη) for mentioned binary mixtures were calculated and correlated by the Redlich-Kister polynomial expansions. It was found that increasing the alkyl chain of alc. boosts the strength of intermol. forces. Also, to obtain more information about the governing forces in the binary mixtures, values of Hansen solubility parameter distance between two mols., Ra, were calculated, and based on the obtained results, the tendency of alc. to dissolve in the MIBK media was discussed.

Journal of Chemical & Engineering Data published new progress about Binary mixtures, liquid. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Klacsova, Maria published the artcileThermodynamic and structural study of DMPC-alkanol systems, Quality Control of 111-87-5, the main research area is thermodn structural property dimyristoylphosphatidylcholine alkanol system DSC.

The thermodn. and structural behaviors of lamellar dimyristoylphosphatidylcholine-alkanol (abbreviation DMPC-CnOH, n = 8-18 is the even number of carbons in the alkyl chain) systems were studied by using DSC and SAXD/WAXD methods at a 0-0.8 CnOH : DMPC molar ratio range. Up to n ≤ 10 a significant biphasic effect depending on the main transition temperature tm on the CnOH concentration was observed Two breakpoints were revealed: turning point (TP), corresponding to the min., and threshold concentration (cT), corresponding to the end of the biphasic tendency. These breakpoints were also observed in the alkanol concentration dependent change in the enthalpy of the main transition ΔHm. In the case of CnOHs with n > 10 we propose a marked shift of TP and cT to very low concentrations; consequently, only increase of tm is observed A partial phase diagram was constructed for a pseudo-binary DMPC-C12OH system. We suggest a fluid-fluid immiscibility of the DMPC-C12OH system above cT with a consequent formation of domains with different C12OH contents. At a constant CnOH concentration, the effects of CnOHs on ΔHm and bilayer repeat distance were found to depend predominantly on the mismatch between CnOH and lipid chain lengths. Observed effects are suggested to be underlined by a counterbalancing effect of interchain van der Waals interactions and head-group repulsion.

Physical Chemistry Chemical Physics published new progress about Bilayer films. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Quality Control of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kaithal, Akash published the artcileRuthenium(II)-catalyzed β-methylation of alcohols using methanol as C1 source, Computed Properties of 111-87-5, the main research area is methylated alc green preparation regioselective; alc methanol methylation ruthenium catalyst.

Selective introduction of Me branches into the carbon chains of alcs. could be achieved with low loadings of ruthenium precatalyst [RuH(CO)(BH4)(HN(C2H4PPh2)2)] (Ru-MACHO-BH) using methanol both as methylating reagent and as reaction medium. A wide range of structurally divers alcs. was β-methylated with excellent selectivity (>99 %) in fair to high yields (up to 94 %) under standard conditions for generation of methylated primary alcs. RCH(Me)CH2OH [R = Me, Ph, 4-MeOC6H4, etc.] and secondary alcs. such as ArCH(OH)CH(Me)2 [Ar = Ph, 4-MeC6H4, 2-naphthyl, etc.] and turnover numbers up to 18,000 could be established. The overall reaction rate of complex catalytic network appeared to be governed by interconnection of individual subcycles through availability of reactive intermediates. The synthetic procedure opened pathways to important structural motifs following green chem. principles.

ChemCatChem published new progress about Green chemistry. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Computed Properties of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts