Month: December 2022

Perevalov, Valery P. published the artcileSynthesis of highly functional imidazole derivatives via assembly of 2-unsubstituted imidazole N-oxides with CH-acids and arylglyoxals, Recommanded Product: 2,2-Dimethoxyethanamine, the main research area is imidazole oxide arylgyloxal dicarbonyl compound three component condensation; aroyl dicarbonylethyl imidazole oxide preparation heterocyclization; imidazolyl fused furan preparation.

A novel and convenient method for the synthesis of a wide range of polyfunctional imidazole derivatives based on the three-component condensation of imidazole N-oxides with CH-acids and arylglyoxals was reported. This reaction proceeded smoothly in moderate-to-good yields with a wide range of starting materials.

Tetrahedron published new progress about Aryl ketones Role: PRP (Properties), 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, Recommanded Product: 2,2-Dimethoxyethanamine.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Pal, Ritashree published the artcileAmidoaldehydes as Substrates in Rhodium-Catalyzed Intermolecular Alkyne Hydroacylation: The Synthesis of α-Amidoketones, Application In Synthesis of 22483-09-6, the main research area is amido aldehyde alkyne rhodium catalyst regioselective hydroacylation; oxo propanamide preparation; aldehyde; alkyne; catalysis; hydroacylation; rhodium.

Readily available α-amidoaldehydes were effective substrates for intermol. Rh-catalyzed alkyne hydroacylation reactions. The catalyst [Rh(dppe)(C6H5F)][BArF4] provided good reactivity, and allowed a broad range of aldehydes and alkynes to be used as substrates, delivering α-amidoketone products. High yields and high levels of regioselectivity were achieved. The use of α-amidoaldehydes as substrates establishes that 1,4-dicarbonyl motifs was used as controlling groups in Rh-catalyzed hydroacylation reactions.

Chemistry – A European Journal published new progress about Aldehydes 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, Application In Synthesis of 22483-09-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kolmar, Johannes F. published the artcileImproving Product Specificity of Whole-Cell Alkane Oxidation in Nonconventional Media: A Multivariate Analysis Approach, COA of Formula: C8H18O, the main research area is Tergitol octanol; alkane monooxygenases; high-throughput; multivariate data analyses; nonconventional media; whole-cell bio-oxidation.

Two-liquid-phase reaction media have long been used in bioconversions to supply or remove hydrophobic organic reaction substrates and products to reduce inhibitory and toxic effects on biocatalysts. In case of the terminal oxyfunctionalization of linear alkanes by the AlkBGT monooxygenase the excess alkane substrate is often used as a second phase to extract the alc., aldehyde, and acid products. However, the selection of other carrier phases or surfactants is complex due to a large number of parameters that are involved, such as biocompatibility, substrate bioavailability, and product extraction selectivity. This study combines systematic high-throughput screening with chemometrics to correlate physicochem. parameters of a range of cosolvents to product specificity and yield using a multivariate regression model. Partial least-squares regression shows that the defining factor for product specificity is the solubility properties of the reaction substrate and product in the cosolvent, as measured by Hansen solubility parameters. Thus the polarity of cosolvents determines the accumulation of either alc. or acid products. Whereas usually the acid product accumulates during the reaction, by choosing a more polar cosolvent the 1-alc. product can be accumulated. Especially with Tergitol as a cosolvent, a 3.2-fold improvement in the 1-octanol yield to 18.3 mmol L-1 is achieved relative to the control reaction without cosolvents.

Biotechnology Journal published new progress about Statistical optimization. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, COA of Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Fischer, Christoph S. published the artcileEnhanced Brightness Emission-Tuned Nanoparticles from Heterodifunctional Polyfluorene Building Blocks, Product Details of C8H9BrO2, the main research area is enhanced brightness emission tuned nanoparticle heterodifunctional polyfluorene building block.

Three-coordinate complexes (bromo)[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-phenyl](tri-tert-butyl-phosphine)palladium (1) and (bromo){4-[(tetrahydro-2H-pyran-2-yloxy)methyl]phenyl}(tri-tert-butyl-phosphine)palladium (2) were used to initiate Suzuki-Miyaura chain growth polymerization of 7′-bromo-9′,9′-dioctyl-fluoren-2′-yl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (3). The polymerization was optionally terminated by end-capping with red-emitting N-(2-ethylhexyl)-1,6-bis(4-tert-octylphenoxy)-9-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-perylene-3,4-dicarboximide. Heterodisubstituted polyfluorenes of adjustable mol. weights between 5 × 103 and 1.0 × 104 g mol-1 and narrow mol. weight distribution (Mw/Mn < 1.2), bearing precisely one or two hydroxyl groups on one chain end and optionally a dye-label on the opposite end, were obtained virtually devoid of any side-products. Covalent attachment of polyethylene glycol (Mn = 2 × 103 g mol-1) to the reactive end groups yielded amphiphilic block copolymer, which afforded stable nanoparticles with diameters in the range of 25-50 nm when dispersed in water. These particles exhibited a bright fluorescence emission with quantum yields as high as Φ = 84%, which could optionally be tuned to longer wavelengths by energy transfer to the perylene monoimide dye. The heterodifunctional nature of these polyfluorenes is crucial for a bright and enduring fluorescence brightness as revealed by comparison to nanoparticles containing phys. mixed dye. Further addition of terrylene diimide dye to the nanoparticles of perylene-end-capped polyfluorene block copolymers allows for an energy cascade resulting in emission exclusively in the deep red and near-IR regime. Journal of the American Chemical Society published new progress about Fluorescence. 92093-23-7 belongs to class alcohols-buliding-blocks, name is 1-(4-Bromophenyl)ethane-1,2-diol, and the molecular formula is C8H9BrO2, Product Details of C8H9BrO2.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Dai, Caili published the artcileEffects of structural properties of alcohol molecules on decomposition of natural gas hydrates: A molecular dynamics study, Quality Control of 584-02-1, the main research area is effect structural property alc mol decomposition natural gas hydrate.

Natural gas hydrates, which are mainly distributed at the sea floor and in permafrost regions, are expected as a future but untapped energy resource. Design of effective chems. for promotion of the gas hydrate decomposition is one solution of achieving sustained and steady exploitation of natural gas hydrate. Among possible additives, alcs. are commonly used. However, the effectiveness is limited and few studies have been conducted to understand the effects of mol. structure of alcs. on the hydrate decomposition Here, with the aid of mol. dynamic simulations, we systematically investigate the effects of chain length, hydroxyl position and hydroxyl number of alcs. on the decomposition of methane hydrates. Combining variations of potential energy, radial distribution functions, and mean square displacement, the influences of alc. structural properties on the hydrate decomposition are evaluated. Simulation results show that 1-pentanol, 2-pentanol and 3-pentanol are added, methane hydrates decompose completely at 1420 ps, 1300 ps and 1500 ps resp. Alc. with short branched chains is conducive to promoting the decomposition of methane hydrate. However, adding methanol, ethanol, 1-propanol, 1,2-propanediol and glycerol, methane hydrates decompose completely at 1530 ps, 1650 ps,1700 ps, 1500 ps and 900 ps resp. and methane hydrate can’t completely decompose at 2000 ps adding 1-butanol. The result indicates that shortening the chain length of alcs. and increasing the hydroxyl number of alcs. are beneficial to improving the promotion effect on methane hydrate decomposition Our results thus provide useful guidelines for future design of alc.-based mols. for promoting gas hydrate decomposition

Fuel published new progress about Distribution function. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, Quality Control of 584-02-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Garcia, Amanda Carvalho published the artcileBacterial small RNAs in the genus Herbaspirillum spp, Related Products of alcohols-buliding-blocks, the main research area is Herbaspirillum small non coding RNA rimP gene CRISPR; CRISPR; RNA non-coding (ncRNA); mRNA; ncRNA cis-encoded; riboswitches; trans-encoded.

The genus Herbaspirillum includes several strains isolated from different grasses. The identification of non-coding RNAs (ncRNAs) in the genus Herbaspirillum is an important stage studying the interaction of these mols. and the way they modulate physiol. responses of different mechanisms, through RNA-RNA interaction or RNA-protein interaction. This interaction with their target occurs through the perfect pairing of short sequences (cis-encoded ncRNAs) or by the partial pairing of short sequences (trans-encoded ncRNAs). However, the companion Hfq can stabilize interactions in the trans-acting class. In addition, there are Riboswitches, located at the 5′ end of mRNA and less often at the 3′ end, which respond to environmental signals, high temperatures, or small binder mols. Recently, CRISPR (clustered regularly interspaced palindromic repeats), in prokaryotes, have been described that consist of serial repeats of base sequences (spacer DNA) resulting from a previous exposure to exogenous plasmids or bacteriophages. We identified 285 ncRNAs in Herbaspirillum seropedicae (H. seropedicae) SmR1, expressed in different exptl. conditions of RNA-seq material, classified as cis-encoded ncRNAs or trans-encoded ncRNAs and detected RNA riboswitch domains and CRISPR sequences. The results provide a better understanding of the participation of this type of RNA in the regulation of the metabolism of bacteria of the genus Herbaspirillum spp.

International Journal of Molecular Sciences published new progress about Flavonoids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hikawa, Hidemasa published the artcileA palladium-catalyzed dehydrative N-benzylation/C-H benzylation cascade of 2-morpholinoanilines on water, SDS of cas: 6214-45-5, the main research area is morpholinoaniline benzyl alc palladium catalyst tandem chemoselective dehydrative benzylation; diphenylethyl morpholinoaniline preparation green chem.

A strategy for the palladium-catalyzed dehydrative tandem benzylation of 2-morpholinoanilines with benzyl alcs. was developed. This cascade reaction was devised as a straightforward and efficient synthetic route for N-(1,2-diphenylethyl)-2-morpholinoanilines in moderate to good yields (50-81%). The dehydrative sp3 C-H bond benzylation proceeded chemoselectively at the benzylic position of N-benzyl-2-morpholinoaniline to form a new C(sp3)-C (sp3) bond. KIE experiments showed that C-H bond activation was involved in the rate-determining step (KIE = 2.7). A Hammett study of 2-morpholinoanilines gave a neg. ρ value, suggested that there was a build-up of pos. charge in the transition state. A “”on water”” protocol, which afforded the corresponding desired products with water as the sole co-product, can be achieved under mild reaction conditions without the need for bases or other additives in an atom-economical process.

Green Chemistry published new progress about Benzylation (chemoselective, dehydrative). 6214-45-5 belongs to class alcohols-buliding-blocks, name is (4-Butoxyphenyl)methanol, and the molecular formula is C11H16O2, SDS of cas: 6214-45-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Agatonovic-Kustrin, Snezana published the artcileQSAR analysis of the partitioning of terpenes and terpenoids into human milk, Application of rel-(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, the main research area is human milk terpene terpenoid partitioning QSAR analysis.

Studies have shown that olfactory experience during breastfeeding plays an important role in the later development of certain food preferences in life. Thus, the aim of this study was to predict partitioning of odorous terpenes and terpenoids into breast milk from a predictive QSAR model for drug transfer. A large heterogenous data set based on drugs and their active metabolites that were used to build a QSAR was collected from the literature. Due to the vast structural diversity of these compounds and possibly different mechanisms involved in M/P partitioning, a non-linear artificial neural network (ANN) model was used to develop a predictive QSAR model. The value of the correlation coefficient of predicted vs. exptl. measured M/P values for the final model (14-2-1) was high (R = .82). The descriptors selected in the final model (14-2-1) belong to 3 main categories: (a) solubility/permeability descriptors (dipole moment, polar surface area, aromatic ring count and hydroxyl group count), (b) reactivity descriptors (i.e. HOMO energy) and (c) shape descriptors (different ring size counts, counts of Me groups and mol. depth). Results of this study predict that many volatile terpenes from the essential oils are transferred into breast milk selectively. The highest M/P values (>3.5) were predicted for β-caryophyllene, aromadendrene, alloaromadendrene, and 1,4- and 1,8-cineole, high values for carvacrol (M/P = 3.2), eugenol (M/P = 3.0) and thymol (M/P = 3.6), and moderate values for α-pinene (M/P = 2.3) and low values (M/P = 0.4) for phellandrene and limonene. Our model helps to explain and expand on the current knowledge of volatile compounds in breast milk by predicting that a variety of volatile terpenoids can be found in breast milk.

Flavour and Fragrance Journal published new progress about Configurational potential. 124-76-5 belongs to class alcohols-buliding-blocks, name is rel-(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, and the molecular formula is C10H18O, Application of rel-(1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Opsomer, Tomas published the artcile1,2,3-Triazole-Mediated Synthesis of 1-Methyleneisoquinolines: A Three-Step Synthesis of Papaverine and Analogues, HPLC of Formula: 22483-09-6, the main research area is methyleneisoquinoline preparation heterocyclization Pomeranz Fritsch reaction; papaverine analog preparation.

A metal-free three-step synthesis toward functionalized 1-methyleneisoquinolines from readily available substrates is reported. First, acetal-containing 1,2,3-triazoles were prepared via a high-yielding triazole formation reaction and quant. converted into triazolo[5,1-a]isoquinolines. Next, the acid-promoted ring opening of these fused triazoles was studied in order to obtain coupling to a diverse scope of nucleophiles, including carbon nucleophiles such as veratrole. By means of non-nucleophilic strong acids under anhydrous conditions, a series of unprecedented isoquinolines and imidazo[5,1-a]isoquinolines was synthesized.

Organic Letters published new progress about Heterocyclization. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, HPLC of Formula: 22483-09-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Teodorovic, Aleksandar V. published the artcileStabilization of long-chain intermediates in solution. Tridecyl radicals and cations, Quality Control of 58783-82-7, the main research area is tetradecanoic acid decarboxylation product formation tridecyl radical rearrangement.

Tetradecanoic acid was decarboxylated by means of lead(IV) acetate (LTA) under thermal (81 °C) and photolytic (r.t.) conditions in benzene solution The mixture of products, obtained in thermal reaction, consists of esters (acetoxyalkanes and carboxylates), tridecenes, tridecane and phenyltridecane. Addnl., tetradecane and hexacosane, under photolytic conditions, were formed. The classes of products and their distribution might be explained by presence of intermediate 1-tridecyl radical which can undergo intramol. (result in formation of rearranged carbon centered radicals) and intermol. stabilization pathways. Exptl. obtained results were used as input data for computational Monte Carlo simulation study of the reaction. On the basis of these results, radical rearrangements, as well as hydride shifts in tridecyl system are discussed.

Journal of Molecular Structure published new progress about Deamination. 58783-82-7 belongs to class alcohols-buliding-blocks, name is 5-Tridecanol, and the molecular formula is C13H28O, Quality Control of 58783-82-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts