Tag: M.W=100-150

Gundekari, Sreedhar published the artcileSelective preparation of renewable ketals from biomass-based carbonyl compounds with polyols using β-zeolite catalyst, Recommanded Product: Ethyl 4-oxopentanoate, the main research area is zeolite preparation surface area catalyst ketal preparation; levulinic acid ester polyol zeolite catalyst ketalization; ketal selective preparation zeolite catalyst.

The preparation of ketals from biomass-based carbonyl compounds and polyols was demonstrated. The emphasis is on levulinate-based ketals using Et levulinate (EL) with ethylene glycol (EG) or glycerol (Gly) as polyols. Among the catalysts screened, Na-β zeolite resulted in 99% conversion of EL with 100% selectivity for the corresponding ketal within 1 h, when used in conjunction with azeotropic distillation in cyclohexane medium. Using Gly as the polyol, a similar yield and selectivity was obtained, albeit after a longer reaction time (4 h). The authors explored the reaction scope by using a multitude of biomass-based ketones and polyols as reactants, which showed excellent selectivity for the ketals. Slight deactivation of the catalyst was observed after reaction, owing to the deposition of organic carbon on the catalyst, which was identified using anal. tools. The deactivated catalyst was regenerated on calcination. This strategy was successfully demonstrated for ketal preparation using crude glycerol with EL.

Molecular Catalysis published new progress about Carbonyl compounds (organic) 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, Recommanded Product: Ethyl 4-oxopentanoate.

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

Hernandez-Ramos, Fabio published the artcileRenewable Biopolyols from Residual Aqueous Phase Resulting after Lignin Precipitation, COA of Formula: C4H8O3, the main research area is renewable biopolyol production residual aqueous phase lignin precipitation.

The aim of this work was to obtain two biopolyols from the liquid residue resulting from the precipitation of lignin contained in two different black liquors, Eucalyptus globulus organosolv black liquor (EOBL) and Pinus radiata organosolv black liquor (POBL), thus adding value to this residue. Eucalyptus organosolv polyol (EOP) and Pine organosolv polyol (POP) were characterized to know their viscosity, hydroxyl number (IOH), and functionality according to the corresponding standard American Society for Testing Materials (ASTM). The mol. weight of the biopolyols was measured through gel permeation chromatog. (GPC); the chem. structure and composition were characterized by Fourier transform IR (FTIR) and gas chromatog.-mass spectrometry (GC-MS), resp.; and the thermal degradation (TGA) of the two biopolyols was determined The biopolyols showed suitable properties to be employed in the production of polyurethanes (PU).

ACS Sustainable Chemistry & Engineering published new progress about Density. 623-50-7 belongs to class esters-buliding-blocks, name is Ethyl 2-hydroxyacetate, and the molecular formula is C4H8O3, COA of Formula: C4H8O3.

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

Wang, Xin published the artcileCopper-Triggered Bioorthogonal Cleavage Reactions for Reversible Protein and Cell Surface Modifications, COA of Formula: C7H12O3, the main research area is copper bioorthogonal cleavage reaction protein cell surface.

Temporal and reversible control over protein and cell conjugations holds great potential for traceless release of antibody-drug conjugates (ADCs) on tumor sites as well as on-demand altering or removal of targeting elements on cell surface. We herein developed a bioorthogonal and traceless releasable reaction on proteins and intact cells to fulfill such purposes. A systematic survey of transition metals in catalyzing the bioorthogonal cleavage reactions revealed that copper complexes such as Cu(I)-BTTAA and dual-substituted propargyl (dsPra) or propargyloxycarbonyl (dsProc) moieties offered a bioorthogonal releasable pair for reversible blockage and rescue of primary amines and phenol alcs. on small mol. drugs, protein side chains, as well as intact cell surface. For proof-of-concept, we employed such Cu(I)-BTTAA/dsProc and Cu(I)-BTTAA/dsPra pairs as a “”traceless linker”” strategy to construct cleavable ADCs to unleash cytotoxic compounds on cancer cells in situ and as a “”reversible modification”” strategy for cell surface engineering. Furthermore, by coupling with the genetic code expansion strategy, we site-specifically modulated ligand-receptor interactions on live cell membranes. Together, our work expanded the transition-metal-mediated bioorthogonal cleavage tool kit from terminal decaging to internal-linker breakage, which offered a temporal and reversible conjugation strategy on therapeutic proteins and cells.

Journal of the American Chemical Society published new progress about Bioorthogonal reaction. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, COA of Formula: C7H12O3.

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

Patel, Meena V. published the artcileDiscovery of (R)-(3-fluoropyrrolidin-1-yl)(6-((5-(trifluoromethyl)pyridin-2-yl)oxy)quinolin-2-yl)methanone (ABBV-318) and analogs as small molecule Nav1.7/ Nav1.8 blockers for the treatment of pain, Quality Control of 623-50-7, the main research area is quinoline preparation sodium channel blocker SAR pharmacokinetic.

An effort to identify selective, CNS-penetrant Nav1.7 blockers with oral activity, improved selectivity, good drug-like properties, and safety led to the discovery of 2-substituted quinolines I [R = piperazine-1-carbonyl, cyclobutylcarbamoyl, 2-oxo-2-(1-piperidyl)ethoxy, etc.; R1 = 4-NCC6H4, 2-pyridyl, 5-(trifluoromethyl)-2-pyridyl, etc.] and quinolones II [R2 = 4-NCC6H4, 4-NCC6H4O; R3 = 1-piperidylmethyl, 1-piperidylmethyl] as potent small mol. Nav1.7 blockers. The design of these mols. focused on maintaining potency at Nav1.7, improving selectivity over the hERG channel, and overcoming phospholipidosis observed with the initial leads. The structure-activity relationship (SAR) studies leading to the discovery of compound I [R = (3R)-3-fluoropyrrolidine-1-carbonyl, R1 = 5-(trifluoromethyl)-2-pyridyl] were described herein. The compound I [R = (3R)-3-fluoropyrrolidine-1-carbonyl, R1 = 5-(trifluoromethyl)-2-pyridyl] displayed robust in vivo efficacy in both inflammatory and neuropathic rodent models of pain. The compound I [R = (3R)-3-fluoropyrrolidine-1-carbonyl, R1 = 5-(trifluoromethyl)-2-pyridyl] also inhibited Nav1.8, another sodium channel isoform that was an active target for the development of new pain treatments.

Bioorganic & Medicinal Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 623-50-7 belongs to class esters-buliding-blocks, name is Ethyl 2-hydroxyacetate, and the molecular formula is C4H8O3, Quality Control of 623-50-7.

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

Kumar, Amit published the artcileDesign, synthesis and biological evaluation of (Quinazoline 4-yloxy)acetamide and (4-oxoquinazoline-3(4H)-yl)acetamide derivatives as inhibitors of Mycobacterium tuberculosis bd oxidase, Quality Control of 623-50-7, the main research area is quinazolinyloxy acetamide preparation tuberculostatic SAR mol docking; oxoquinazolinyl acetamide preparation tuberculostatic SAR mol docking; (4-oxoquinazoline-3(4H)-yl)acetamide; (Quinazoline 4-yloxy)acetamide; Mycobacterium tuberculosis bd-oxidase.

A bc1 complex mutant of M. tuberculosis used to screen (Quinazoline 4-yloxy)acetamide and (4-oxoquinazoline-3(4H)-yl)acetamide derivatives against the alternate oxidase, i.e., cytochrome bd oxidase. Two mols., S-021-0601 and S-021-0607 were found to inhibit the mutant with MICs 8 and 16μM resp., compared to MICs of 128 and 256μM against the wild type M. tuberculosis. In the wild type, one of the compounds showed synergism with Q203, an inhibitor of bc1 complex, in inhibiting growth under aerobic conditions. Both compounds showed synergism with Q203 in depleting bacterial ATP and inhibiting oxygen consumption. Both the compounds at 32μM (one-fourth or one-eighth of their MICs for wild type) were bactericidal to wild type bacteria under hypoxic condition, causing ∼1.9 log10 reduction in viable counts which increased to ∼4-log10 when combined with Q203.

European Journal of Medicinal Chemistry published new progress about Binding energy. 623-50-7 belongs to class esters-buliding-blocks, name is Ethyl 2-hydroxyacetate, and the molecular formula is C4H8O3, Quality Control of 623-50-7.

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

Garcia, Ainhoa published the artcileSynthesis of 2-Prenylated Alkoxylated Benzopyrans by Horner-Wadsworth-Emmons Olefination with PPARα/γ Agonist Activity, Synthetic Route of 539-88-8, the main research area is prenyl alkoxy benzopyran preparation PPAR agonist activity; alkylphosphonate aldehyde Horner Wadsworth Emmons reaction.

2-Prenylated benzopyrans such as I were prepared as analogs of polycerasoidol, a natural product dual PPARα/γ agonist with anti-inflammatory effects. The prenylated side chain consists of five or nine carbons with an α-alkoxy-α,β-unsaturated ester moiety. Prenylation was introduced via the Grignard reaction, followed by Johnson-Claisen rearrangement, and the α-alkoxy-α,β-unsaturated ester moiety was introduced by the Horner-Wadsworth-Emmons reaction. Synthetic derivatives showed high efficacy to activate both hPPARβ and hPPARγ as dual PPARα/γ agonists. These prenylated benzopyrans emerge as lead compounds potentially useful for preventing cardiometabolic diseases.

ACS Medicinal Chemistry Letters published new progress about Grignard reaction. 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

Imyen, Thidarat published the artcileInvestigation of ZSM-12 nanocrystals evolution derived from aluminosilicate nanobeads for sustainable production of ethyl levulinate from levulinic acid esterification with ethanol, Quality Control of 539-88-8, the main research area is aluminosilicate nanobead zeolite nanocrystal ethanol levulinic acid esterification.

The evolution of hierarchical ZSM-12 nanosized crystals as a function of crystallization time has been demonstrated using amorphous aluminosilicate (AS) nanobeads as simultaneous silica and alumina sources and cyclic diquaternary ammonium as a structure-directing agent (SDA) in a one-pot hydrothermal synthesis. The physicochem. properties of the derived ZSM-12 products were characterized by means of x-ray diffraction (x-ray diffraction), x-ray fluorescence spectroscopy (XRF), Fourier transform IR (FTIR) spectroscopy, SEM, TEM, energy dispersive x-ray spectroscopy (EDS) elemental anal., N2 physisorption, temperature-programmed desorption of ammonia (NH3-TPD), and pyridine adsorption. It is clearly demonstrated that crystallinity, textural properties, and acidity of the zeolite products are enhanced as a function of crystallization time. The structure of nanocrystalline ZSM-12 is well-developed after 120 h of crystallization and the corresponding zeolite product exhibits the promising catalytic performance for sustainable production of Et levulinate (EL) from levulinic acid (LA) esterification with ethanol. This contribution illustrates an alternative way to synthesize hierarchical zeolite nanocrystals with MTW framework via the use of homogeneously dispersed aluminosilicate nanobeads as the starting materials and opens up the perspectives for the sustainable application of zeolites nanosized crystals in a bulky-mol. reaction of bio-based chem. synthesis.

Microporous and Mesoporous Materials published new progress about Bronsted acidity. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Quality Control of 539-88-8.

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

Polanski, Jaroslaw published the artcileThe comparison of molecular surfaces by neural networks and its applications to quantitative structure activity studies, Safety of Ethyltert-butylacetate, the publication is Quantitative Structure-Activity Relationships (1998), 17(1), 27-36, database is CAplus.

Self-organizing Kohonen neural networks are used to obtain quant. structure-activity relationships. Simple mols. were selected to discuss the essential features of the transformation. Descriptors calculated from maps obtained from comparative studies with template mols. applied to the anal. of compounds derived from butane, as well as Et carboxylates and nitroanilines and aminobenzonitriles (sweet-tasting compounds) can be correlated with various mol. effects.

Quantitative Structure-Activity Relationships published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Safety of Ethyltert-butylacetate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Olmos, Andrea published the artcileMeasuring the Relative Reactivity of the Carbon-Hydrogen Bonds of Alkanes as Nucleophiles, Recommanded Product: Ethyltert-butylacetate, the publication is Angewandte Chemie, International Edition (2018), 57(42), 13848-13852, database is CAplus and MEDLINE.

We report quant. measurements of the relative reactivities of a series of C-H bonds of gaseous or liquid C_nH_2n+2 alkanes (n = 1-8, 29 different C-H bonds) towards in situ generated electrophiles (copper, silver, and rhodium carbenes), with methane as the reference This strategy surpasses the drawback of previous model reactions of alkanes with strong electrophiles suffering from C-C cleavage processes, which precluded direct comparison of the relative reactivities of alkane C-H bonds.

Angewandte Chemie, International Edition published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Recommanded Product: Ethyltert-butylacetate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Durak, Halil published the artcileHydrothermal conversion of biomass (Xanthium strumarium) to energetic materials and comparison with other thermochemical methods, Safety of 3-Acetyldihydrofuran-2(3H)-one, the publication is Journal of Supercritical Fluids (2018), 290-301, database is CAplus.

In the present study, the biomass was converted into liquid and solid residues by using hydrothermal liquefaction method at 250, 300 and 350°C with (FeCl₃, NaOH) and without catalyst. The resultant products were examined using GC-MS, FT-IR, ¹H NMR, SEM, and elemental anal. methods. According to the performed analyses, the highest liquid product yield (total bio-oil) was found to be 38.08% at 300°C by using FeCl₃ as catalyst. In the experiments carried out at 350°C, the highest HHV value was found to be 32.35 MJ kg^-1 by using NaOH catalyst. The energy values of products obtained at the end of experiments were compared to the values obtained from pyrolysis and supercritical liquefaction method, and it was determined that the liquid products having higher level of energy value were achieved by using hydrothermal liquefaction method.

Journal of Supercritical Fluids published new progress about 517-23-7. 517-23-7 belongs to esters-buliding-blocks, auxiliary class Tetrahydrofuran,Ketone,Ester, name is 3-Acetyldihydrofuran-2(3H)-one, and the molecular formula is C6H8O3, Safety of 3-Acetyldihydrofuran-2(3H)-one.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics