Category: esters-buliding-blocks

Godehard, Simon P. published the artcileProtein Engineering for Enhanced Acyltransferase Activity, Substrate Scope, and Selectivity of the Mycobacterium smegmatis Acyltransferase MsAcT, Safety of Benzyl acetate, the main research area is Mycobacterium acyltransferase protein engineering.

The highly efficient and versatile acyltransferase MsAcT from Mycobacterium smegmatis catalyzes aqueous acyl transfer reactions, enabling applications in environmentally friendly processes and enzyme cascades. We rationally designed several variants with up to 30-fold increased acyl transfer to hydrolysis ratios while mostly retaining initial activity. Variants exhibiting broader acyl-donor substrate scope and higher or inverted enantioselectivity were also designed. Alterations of the catalytic His-Asp pair decreased the activation of hydrolytic water, thereby increasing acyl transfer to hydrolysis ratios. This study demonstrates that targeting the disruption of water networks and manipulating the activation of nucleophiles are promising strategies for engineering promiscuous acyltransferase activities.

ACS Catalysis published new progress about Crystal structure. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Safety of Benzyl acetate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lunn, Richard D. J. published the artcileEncapsulation of Aromatic Compounds and a Non-Aromatic Herbicide into a Gadolinium-Based Metal-Organic Framework via the Crystalline Sponge Method, SDS of cas: 140-11-4, the main research area is encapsulation aromatic compound herbicide gadolinium MOF RUM2 crystalline sponge.

The crystalline sponge method (CSM) is a procedure that has the potential to remove the need to have good-quality single crystals of the target compound by soaking said compound into a crystalline metal-organic framework (MOF). To increase the range of compounds that can be employed with the CSM, a range of different MOFs must be investigated. In this study we have explored the use of a lanthanide-based MOF, RUM-2, recently shown to have potential as a CSM host. Specifically, we have successfully formed five novel inclusion complexes with the four aromatic guests: 2-phenylethanol, benzyl acetate, benzyl benzoate, and vanillin and the non-aromatic herbicide molinate. A detailed anal. of the effect of size on the positions guest mols. sit within the pores of the MOF was performed. The π···π, CH···π, hydrogen-bonding, and coordination host-guest and guest-guest interactions utilized in guest ordering were also investigated, and the disorder experienced by guest mols. was documented. Here we report five novel inclusion complexes within the crystalline sponge RUM-2, including the first com. herbicide to have its structure elucidated by the crystalline sponge method, molinate. A detailed investigation was performed into the effect of guest size on the position the guests sit within the MOF pores and the different intermol. interactions used for guest ordering.

Crystal Growth & Design published new progress about Crystal structure. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, SDS of cas: 140-11-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Malpani, Sakshi Kabra published the artcileA Greener Route for Synthesis of Fly Ash Supported Heterogeneous Acid Catalyst, Application of Benzyl acetate, the main research area is fly ash esterification Friedel Crafts alkylation structural thermal property.

Fly ash, a solid byproduct obtained from coal-fired thermal power plants, is basically a silico-aluminate material having varying minor amounts of other metal oxides. For suitable bulk utilization of this solid waste, a novel kind of solid acid catalyst has been successfully synthesized by employing microwave assisted greener route. For enhancing the efficacy, amorphous silica was extracted from fly ash in a cost-effective manner which was further chem. activated with H2SO4. Various anal. techniques were utilized to study physico-chem. properties of the as-prepared catalyst, while the catalytic activity was tested by a serious of microwave assisted esterification and Friedel-Crafts alkylation reactions under optimized reaction conditions. Higher yield of products attributes to the presence of significant number of Bronsted acidic sites on catalyst, also proved by Pyridine adsorbed FT-IR spectrum of catalyst. The catalyst was recovered and reused up to five reaction cycles with similar competence as in first run which deliberates its stability during the course of reaction.

Materials Today: Proceedings published new progress about Crystal structure. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Application of Benzyl acetate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Le, Linh published the artcileUnexpected CNN-to-CC Ligand Rearrangement in Pincer-Ruthenium Precatalysts Leads to a Base-Free Catalyst for Ester Hydrogenation, Formula: C11H22O2, the main research area is bidentate pyridylbenzimidazolylidene ruthenacycle preparation catalyst ester hydrogenation; crystal structure bidentate pyridylbenzimidazolylidene ruthenacycle; mol structure bidentate pyridylbenzimidazolylidene ruthenacycle.

The authors report the conversion of CNN-pincer-Ru complexes Ru(CNN)HCl(CO) to a CC-chelated form Ru(CC)(PR3)2H(CO) on reaction with Na tert-butoxide and monodentate phosphines. When the phosphine is PPh3, cis-phosphine complexes form at room temperature, which convert to the trans isomer at elevated temperatures When the phosphine is tricyclohexylphosphine, only the trans-phosphine isomer is observed The CC-chelated complexes are active catalysts for the hydrogenation of esters, without the need for added base. The ligand structure-activity relation in CC-chelated complexes mirrors that in the precursor CNN-Ru complexes, potentially indicating a common catalytic mechanism. D. functional theory calculations establish a plausible mechanism for the CNN-to-CC rearrangement and demonstrate that this rearrangement is potentially reversible under the conditions of ester hydrogenation catalysis.

Organometallics published new progress about Crystal structure. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Formula: C11H22O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Wei, Yun published the artcileSynthesis and characterization of rare-earth metallate amido complexes bearing the 2-amidate-functionalized indolyl ligand and their application in the hydroboration of esters with pinacolborane, Product Details of C9H18O2, the main research area is indolylamido rare earth complex preparation crystal mol structure catalyst; rare earth metalate amido indolyl preparation hydroboration ester pinacolborane.

The reactions of 2-amidate-functionalized indolyl proligand 2-(2,6-iPr2C6H3NHC:O)C8H5NH (H2L) with [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 were studied leading to the synthesis and characterization of a series of novel discrete trinuclear rare-earth metalate amido complexes containing the anion [{η1:(μ2-η1:η1):η1-LREN(SiMe3)2}3(μ3-Cl)]- and cation Li+(THF)4 (RE = Y(1a), Nd (1b), Sm (1c), Gd (1d), Dy (1e), Er (1f), and Yb (1g)) in good yields by silylamine elimination. All of the complexes were characterized by spectroscopic methods, elemental analyses and single-crystal x-ray diffraction, and complexes 1a and 1c were addnl. characterized by NMR spectroscopy. As proof of principle of their activity, these complexes were used as precatalysts for the hydroboration of esters using HBpin as the hydride source displaying high activity under neat and room temperature conditions. As a result, the ligand, ionic and multinuclear cooperative effects on catalytic activity were observed

Dalton Transactions published new progress about Crystal structure. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Product Details of C9H18O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lubinska-Szczygel, Martyna published the artcileInfluence of steam cooking on pro-health properties of Small and Large variety of Momordica charantia, Quality Control of 110-42-9, the main research area is Momordica fruit steam cooking methanol extract octanal antioxidant.

Steam cooking is one of the most common preparations of Momordica charantia dishes. This method improved the tastiness of the fruits but at the same time, some changes occurred in the volatile and non-volatile parts of their food matrixes. In this study, for the first time these properties were correlated with the found substances affecting the bioactivity of this fruit. Two varieties of Momordica charantia were analyzed and compared. It was possible to differentiate both types of fruits using two-dimensional gas chromatog. and time-of-flight mass spectrometry (GC×GC-TOF-MS) as well as to assess botanical and geog. origin. In the case of volatiles, 212 chem. compounds were tentatively identified, which can be classified into seven chem. classes, such as aldehydes, alcs., esters, ketones, terpenes, hydrocarbons. Furthermore, 16 of them were quantified and calculated in terms of OAV and ROC values. Bioactive substances (polyphenols, flavonoids, tannins and flavanols) and the values of antioxidant capacities by four radical scavenging assays (DPPH, CUPRAC FRAP, ABTS) were determined and compared in water and methanol extracts of Chinese and Indian varieties. It was proven that steam cooked Chinese variety has greater value due to its flavor than Indian variety and consists more volatile, non-volatile and bioactive constituents with high antioxidant effect. The binding properties of polyphenols to HSA were relatively high in comparison with other plants. A strong pos. correlation of binding properties and bioactivity of Momordica charantia was estimated One of the volatiles, namely citronellol, has key importance in respect of antidiabetic effect of Momordicacharantia Chinese variety. This study indicates pro-health preponderance of Chinese variety over Indian variety and confirms that steam cooking is in lines with the canons of safe food preparation

Food Control published new progress about Cymbopogon nardus. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Quality Control of 110-42-9.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lai, Jinhua published the artcileCatalytic Transfer Hydrogenation of Biomass-Derived Ethyl Levulinate into Gamma-Valerolactone Over Graphene Oxide-Supported Zirconia Catalysts, Product Details of C7H12O3, the main research area is ethyl levulinate valerolactone graphene oxide zirconia catalytic transfer hydrogenation.

Abstract: The transformation of biomass-derived intermediates into value-added chems. and liquid fuels is of great importance in sustainable chem. In this study, graphene oxide supported ZrO2 (ZrO2/GO) was found to be an active heterogeneous catalyst for the transfer hydrogenation of Et levulinate to γ-valerolactone (GVL) with iso-propanol as the hydrogen donor. Several important reaction parameters such as the hydrogen donor, the reaction temperature and the catalyst loading were studied in detail with the aim to get a high yield of GVL. It was found that the structure of alcs. had a great effect towards the activity of the ZrO2/GO catalyst and the selectivity of GVL. Iso-propanol was the best hydrogen donor for the transfer hydrogenation of Et levulinate to GVL. The highest GVL yield reached 91.7% with an Et levulinate conversion of 96.2% under optimal reaction conditions. More importantly, the ZrO2/GO catalyst demonstrated a high stability without the loss of its catalytic activity during the recycling experiments, which should be due to the strong interaction between GO and ZrO2. Graphical Abstract: The graphene oxide supported ZrO2 (ZrO2/GO) catalyst showed high activity for the transfer hydrogenation of Et levulinate to GVL with a high yield up to 91.7%.[Figure not available: see fulltext.].

Catalysis Letters published new progress about Activation energy. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Product Details of C7H12O3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Nguyen, Hoang Chinh published the artcileMicrowave-mediated noncatalytic synthesis of ethyl levulinate: A green process for fuel additive production, Synthetic Route of 539-88-8, the main research area is ethyl levulinate microwave irradiation noncatalytic synthesis fuel additive production.

This study developed a new catalyst-free process for producing Et levulinate, a biofuel additive. Noncatalytic levulinic acid esterification with ethanol using microwave irradiation (MW) was compared with that using traditional heating (TH) under different reaction conditions. The results demonstrated that the esterification process using MW was more effective than that using TH. A reaction conversion of 90.38% was obtained for the esterification using MW at 473 K and reaction time of 3 h. Moreover, this study established a model for depicting the kinetics of levulinic acid esterification using MW and TH. A good fit to the data (R2 of >.9999) was achieved, indicating the validity of the developed model. The rate constants and pre-exponential factor obtained for the esterification using MW were greater than those obtained using TH. Consequently, the microwave-assisted noncatalytic synthesis is a green and promising method for preparing Et levulinate.

International Journal of Energy Research published new progress about Activation energy. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Synthetic Route of 539-88-8.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Liu, Yingxin published the artcileOne-pot synthesis of pyrrolidone derivatives via reductive amination of levulinic acid/ester with nitriles over Pd/C catalyst, Application In Synthesis of 539-88-8, the main research area is levulinic acid reductive amination palladium pyrrolidone one pot synthesis.

The selective reductive amination of levulinic acid (LA) into pyrrolidone derivatives is regarded as one of the most promising reactions in the fields of biomass conversion into high value-added chems. Herein, we report a one-pot synthesis of N-substituted-5-methyl-2-pyrrolidones by reductive amination of LA/ester with nitriles over several com. catalysts. Among the catalysts tested, Pd/C was found to be the most efficient for the reductive amination of LA/ester with various nitriles to give high yields of pyrrolidones (up to 92%) under mild reaction conditions (80°C, 1.6 MPa H2, THF solvent). And the catalyst showed good reusability.

Reaction Kinetics, Mechanisms and Catalysis published new progress about Activation energy. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Application In Synthesis of 539-88-8.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Jing, Chu published the artcileThermal decomposition of methacrylate polymers containing tert-butoxycarbonyl moiety, Name: Dodecyl 2-methylacrylate, the main research area is tert butoxycarbonyloxy ethyl methacrylate polymer thermal degradation.

In organic synthesis and polymer materials chem., a tert-butoxycarbonyl (BOC) group is often used as one of tools for the protection of functional groups. In this study, we carried out radical polymerization of 2-(tert-butoxycarbonyloxy)ethyl methacrylate (BHEMA) and copolymerizations of BHEMA with Me methacrylate (MMA), Bu methacrylate (nBMA), iso-Bu methacrylate (iBMA), tert-Bu methacrylate (tBMA), dodecyl methacrylate (DMA), α-methylstyrene (AMS), and limonene (Lim) as the 1,1-disubstituted ethylene monomers and investigated the thermal decomposition behavior of the obtained polymers. On the basis of the results of thermogravimetric (TG) anal. in nitrogen at the heating rate of 10 °C/min, it was revealed that the deprotection of the BOC group in the polymer side chains occurred at ca. 200 °C accompanying the quant. elimination of isobutene and carbon dioxide, independent of the structures of the repeating units. The following main-chain decomposition of the residual copolymers resulted in a small amount of residue less than 1% at 500 °C. Poly(2-hydroxyethyl methacrylate) was synthesized via the deprotection of the BOC group of PBHEMA.

Polymer Degradation and Stability published new progress about Activation energy. 142-90-5 belongs to class esters-buliding-blocks, name is Dodecyl 2-methylacrylate, and the molecular formula is C16H30O2, Name: Dodecyl 2-methylacrylate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics