Esters-buliding-blocks

Xu, Zhen published the artcileOrganocatalytic, Enantioselective Reductive Bis-functionalization of Secondary Amides: One-Pot Construction of Chiral 2,2-Disubstituted 3-Iminoindoline, Computed Properties of 539-88-8, the main research area is organocatalytic enantioselective reductive functionalization secondary amide; one pot stereoselective preparation chiral iminoindoline mol modeling.

We report the first catalytic, enantioselective reductive bis-functionalization of common amides, which provides a facile access to a variety of 2,2-disubstituted 3-iminoindolines in good yields and with excellent enantioselectivities. The reaction conditions are quite mild and can be run on a gram scale. In this one-pot reaction, three C-C bonds, one ring, and one nitrogen-containing tetrasubstituted carbon stereocenter are created in a catalytic enantioselective manner.

Organic Letters published new progress about Amides, secondary Role: RCT (Reactant), RACT (Reactant or Reagent). 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Computed Properties of 539-88-8.

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

Yadav, Suresh Kumar published the artcileCobalt(III)-Catalyzed Regioselective [4 + 2]-Annulation of N-Chlorobenzamides with Substituted Alkenes, Application In Synthesis of 583-04-0, the main research area is dihydroisoquinolinone regioselective preparation; chlorobenzamide allylic compound annulation cobalt catalyst.

Synthesis of 3,4-dihydroisoquinolinone derivatives I [R1 = H, 6-Me, 7-Cl, etc.; R2 = S(O)2Ph, OPh, CN, etc.] via Co(III)-catalyzed redox-neutral [4 + 2] annulation of N-chlorobenzamides/acrylamides with substituted alkenes at ambient temperature in good yields was demonstrated. Intriguingly, the synthetically useful functional group of allylic coupling partners such as sulfonyl, carbonate, acetate, phosphate, amide, nitrile, and silane were retained in the final cyclized product. The present annulation reaction was compatible with various substituted benzamides and allylic coupling partners. To support the proposed reaction mechanism, competition experiments, deuterium labeling studies, and kinetic isotope effect studies were performed.

Journal of Organic Chemistry published new progress about Allylic compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 583-04-0 belongs to class esters-buliding-blocks, name is Allyl benzoate, and the molecular formula is C10H10O2, Application In Synthesis of 583-04-0.

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

Sieger, Simon V. published the artcileHydrofunctionalization of Propadiene – New Life for a Previously Unwanted Product, Synthetic Route of 583-04-0, the main research area is nucleophile propadiene palladium catalyst allylation; allyl preparation.

A highly versatile palladium-catalyzed allylation reaction of several pronucleophiles was reported. The use of propadiene in toluene provides an atom economic and waste-free access to allylated nucleophiles, a structural motif with almost unlimited possibilities for further functionalization. In addition to N-, O- and S-pronucleophiles, the Pd/BINAP system was capable of adding a C-pronuceophile to allene. A plausible mechanism was supported by deuterium labeling experiments

ACS Catalysis published new progress about Allyl amines Role: SPN (Synthetic Preparation), PREP (Preparation). 583-04-0 belongs to class esters-buliding-blocks, name is Allyl benzoate, and the molecular formula is C10H10O2, Synthetic Route of 583-04-0.

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

Bermejo, Almudena published the artcileSynthesis of benzopyran derivatives as PPARα and/or PPARγ activators, Product Details of C7H12O3, the main research area is peroxisome proliferator receptor alpha gamma structure activity benzopyran; alkyl hydroxy benzopyran preparation PPARalpha PPARgamma activator lipophilicity; Benzopyrans; PPARα agonism; PPARγ agonism; Polycerasoidol.

The authors describe the synthesis of benzopyran derivatives I [R = n-pentyl, 3-hydroxy-1-Bu, 3-ethoxy-3-oxo-Pr, etc.; R1 = hydroxy, acetoxy; R2 = H, chloro] and II [R3 = hydroxy, n-propyloxy; R4 = H, hydroxy; R5 = 2-carboxyethyl, 4-methylpent-3-enyl, 3-methoxy-3-oxo-Pr, etc.], small polycerasoidol analogs, that are Lipinski’s rule-of-five compliant. In order to confirm key structural features to activate PPARα and/or PPARγ, the authors have adopted structural modifications in the following parts: (i) the benzopyran core (hydrophobic nucleus) by benzopyran-4-one, dihydrobenzopyran or benzopyran-4-ol; (ii) the side chain at the 2-position by shortening to C3, C4 and C5-carbons vs. C-9-carbons of polycerasoidol; and (iii) the carboxylic group (polar head) by oxygenated groups (hydroxyl, acetoxy, epoxide, ester, aldehyde) or non-oxygenated motifs (allyl and alkyl). Benzopyran-4-ones I [R = 3-ethoxy-3-oxo-Pr, 3-hydroxybutyl, 3-hydroxy-3-methylbutyl, R1 = hydroxy, R2 = H; R = 3-acetoxybutyl, R1 = acetoxy, R2 = H] as well as dihydrobenzopyrans II [R3 = hydroxy, R4 = H, R5 = 3-methylbut-3-enyl, 2-carboxyethyl, 3-methoxy-3-oxopropyl] were able to activate hPPARα, whereas benzopyran-4-one I [R = n-pentyl, R1 = hydroxy, R2 = chloro] with C5-carbons in the side chain exhibited hPPARγ agonism. According to our previous docking studies, structure-activity studies confirmed that the hydrophobic nucleus (benzopyran-4-one or dihydrobenzopyran) was essential to activated PPARα and/or PPARγ and the flexible linker (side alkyl chain) should contain at least C5-carbon atoms to activate PPARγ. By contrast, the polar head (“”carboxylic group””) tolerated several oxygenated groups but also non-oxygenated motifs. Taking into account these key structural features, small polycerasoidol analogs might provide potential active mols. useful in the treatment of dyslipidemia and/or type 2 diabetes.

Bioorganic & Medicinal Chemistry published new progress about Aliphatic ketones Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Hooshmand, Seyed Aghil published the artcileA multimodal deep learning-based drug repurposing approach for treatment of COVID-19, Recommanded Product: 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, the main research area is drug repurposing deep learning multimodal data fusion SARSCoV2 COVID19; COVID-19; Deep learning; Drug repurposing; Multimodal data fusion; Restricted Boltzmann machine.

Abstract: Recently, various computational methods have been proposed to find new therapeutic applications of the existing drugs. The Multimodal Restricted Boltzmann Machine approach (MM-RBM), which has the capability to connect the information about the multiple modalities, can be applied to the problem of drug repurposing. The present study utilized MM-RBM to combine two types of data, including the chem. structures data of small mols. and differentially expressed genes as well as small mols. perturbations. In the proposed method, two sep. RBMs were applied to find out the features and the specific probability distribution of each datum (modality). Besides, RBM was used to integrate the discovered features, resulting in the identification of the probability distribution of the combined data. The results demonstrated the significance of the clusters acquired by our model. These clusters were used to discover the medicines which were remarkably similar to the proposed medications to treat COVID-19. Moreover, the chem. structures of some small mols. as well as dysregulated genes’ effect led us to suggest using these mols. to treat COVID-19. The results also showed that the proposed method might prove useful in detecting the highly promising remedies for COVID-19 with min. side effects. All the source codes are accessible using https://github.com/LBBSoft/Multimodal-Drug-Repurposing.git Graphic abstract: [graphic not available: see fulltext].

Molecular Diversity published new progress about Algorithm (contrastive divergence, data reconstruction iterations). 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Recommanded Product: 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate.

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

Xu, Wen-Yan published the artcileTransition-Metal-Free Valorization of Biomass-derived Levulinic Acid Derivatives: Synthesis of Curcumene and Xanthorrhizol, Computed Properties of 539-88-8, the main research area is valorization biomass levulinic acid curcumene xanthorrhizol methyltetralone synthesis; biomass conversion; levulinic acid derivatives; rac-curcumene; rac-xanthorrhizol; tosylhydrazone.

Levulinic acid (LA) is acknowledged one of the most promising biomass-derived platform mols. and can be transformed into various value-added chems. Here, we report a new reaction process for the valorization of LA derivatives under transition-metal-free condition. The protocol combined with the conversion of the levulinate to tosylhydrazone and base promoted arylation, acylation, and etherification cross-coupling. Moreover, our method was applied to synthesize three biol. active mols., rac-curcumene (I), rac-xanthorrhizol synthetic precursor (II), and rac-4,7-dimethyl-α-tetralone (III). This reaction discloses a new avenue for the high-value utilization of platform mols.

ChemSusChem published new progress about Acylation (acylation of tosylhydrazones with furancarboxaldehydes). 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Computed Properties of 539-88-8.

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

Kalla, Reddi Mohan Naidu published the artcileAcylation of Phenols, Alcohols, Thiols, Amines and Aldehydes Using Sulfonic Acid Functionalized Hyper-Cross-Linked Poly(2-naphthol) as a Solid Acid Catalyst, Recommanded Product: Benzyl acetate, the main research area is crosslinked sulfonated polynaphthol porous polymer catalyst preparation property; thiol amine aldehyde acylation.

The hyper-cross-linked porous poly(2-naphthol) fabricated by the Friedel-Crafts alkylation of 2-naphthol has been functionalized with sulfonic acid to obtain a solid acid catalyst. The catalyst is applied for the protection of phenol, alcs., thiols, amines and aldehydes with acetic anhydride at room temperature The catalytic protection using the new solid acid is featured by achieving high yield at neat condition, needing no aqueous work-up and/or chromatog. separation, and showing excellent recycling efficiency, suggesting the potential of this sulfonated porous polymers as a new protection protocol in a wide range of sustainable chem. reactions.

Catalysis Letters published new progress about Acetanilides Role: SPN (Synthetic Preparation), PREP (Preparation). 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Recommanded Product: Benzyl acetate.

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

Zhao, Wenfeng published the artcileAmmonia borane enabled upgrading of biomass derivatives at room temperature, Formula: C7H12O3, the main research area is ammonia borane enabled upgrading biomass derivative room temperature.

Simplifying biomass conversion to valuable products with high efficiency is pivotal for the sustainable development of society. Herein, an efficient catalyst-free system using ammonia borane (AB) as the hydrogen donor is described, which enables controllable reaction selectivity towards four value-added products in excellent yield (82-100%) under very mild conditions. In particular, the system is uniquely efficient to produce γ-valerolactone (GVL) at room temperature Combined in situ NMR and computational studies elucidate the hydrogen transfer mechanism of AB in methanol, the novel pathway of GVL formation from levulinate in water, and a competitive mechanism between reduction and reductive amination in the same system. Moreover, carbohydrates are converted directly into GVL in good yield, using a one-pot, two-step strategy. Products of a rather broad scope are prepared within a short reaction time of 30 min by using this catalyst-free strategy in methanol at room temperature

Green Chemistry published new progress about Beta zeolites Role: CAT (Catalyst Use), USES (Uses) (Sn-containing). 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Formula: C7H12O3.

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

Shao, Yan published the artcileComposition and profiles of volatile organic compounds during waste decomposition by the anaerobic bacteria purified from landfill, Application In Synthesis of 111-11-5, the main research area is volatile organic compound waste decomposition anaerobic bacteria landfill; Anaerobic bacteria; Concentration variation; Landfill gas; VOCs; Waste degradation.

Volatile organic compounds (VOCs) become concerned pollutants in landfill gases, and their composition and concentration varied significantly during waste decomposition Many environmental factors are known to affect VOC emissions, while the effect of indigenous bacteria in wastes on VOC production remains elusive. In this study, a simplified anaerobic degradation experiment, with the single substrate and the purified bacteria from a landfill, was set up to measure the degradation process and the dynamic changes of VOCs. The experiment excluded the abiotic factors for VOC variation. The two isolated bacteria, identified as Sporanaerobacter acetigenes and Clostridium sporogenes, could anaerobically ferment amino acids by Stickland reaction. They produced 51 and 57 species of VOCs in the experiment, resp. The concentration changes of VOCs over bacterial growth and fermentation were clustered into four types by principal component anal.: three profiles were regular, similar to the variation of nitrate, hydrogen sulfide, and the major fermentation products (carbon dioxide, ammonium, and volatile organic acids), resp.; while one profile was unique to any degradation indicator. The various concentration profiles indicated different origins for VOCs, possibly from the extracellular environment, fermentation, and secondary reactions. The findings provide insights into the understanding of VOC diversity and variability during waste decomposition

Waste Management (Oxford, United Kingdom) published new progress about Amino acids Role: OCU (Occurrence, Unclassified), OCCU (Occurrence). 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Application In Synthesis of 111-11-5.

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

Baky, Mostafa H. published the artcileMetabolome-Based Analysis of Herbal Cough Preparations Via Headspace Solid-Phase Microextraction GC/MS and Multivariate Data Analyses: A Prospect for Its Essential Oil Equivalency, HPLC of Formula: 123-29-5, the main research area is metabolome analysis herbal cough headspace microextraction GC MS.

Liquid cough preparations containing essential oils pose a challenge for isolating and quantifying their volatile components from such a complex matrix enriched with nonvolatile constituents and excipients. This study aims to develop a strategy integrating QC anal. of seven natural cough preparations in the Egyptian market and to assess volatile variation among the preparations using multivariate data analyses. Cough preparations were subjected to headspace solid-phase microextraction (HS-SPME) for determination of their essential oil composition mediating for their actions and to assess volatile differences among them. HS-SPME is a suitable technique for sample preparation that allows for extraction and enrichment of volatiles from complex nonvolatile matrixes and their direct desorption into the gas chromatog. anal. system. A total of 88 volatile components were identified belonging to seven classes, viz. aromatics, aliphatic hydrocarbons, mono/sesquiterpene hydrocarbons, and oxygenated mono/sesquiterpenes. Oxygenated monoterpenes, viz., menthol, cineole, thymol, and (E)-anethole, were the major volatiles identified in five cough preparations (79.5-98.6%), whereas aromatics, chiefly cinnamate derivatives, constituted the second class amounting for 50.5 and 27.4% in the other two cough preparations Meaningful results regarding the products’ efficacy and safety were extrapolated from this anal. procedure, where artificial preservatives (parabens) were detected in five cough preparations This study established an efficient strategy for exploring volatile profiling and defining different markers among the different cough preparations Addnl., authenticity of listed herbal ingredients in the cough preparations was also confirmed in certain preparations, while other formulations failed to show representative volatile components. Volatile variation among preparations was assessed using multivariate data analyses in an attempt to prioritize cough preparations for usage, suggesting the preference of Bronchicum and Babetone among examined cough products.

ACS Omega published new progress about Aliphatic hydrocarbons Role: ANT (Analyte), ANST (Analytical Study). 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, HPLC of Formula: 123-29-5.

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