Tag: M.W=100-150

Al-Trawneh, Salah A. published the artcileSynthesis and cytotoxicity of thieno[2,3-b]pyridine derivatives toward sensitive and multidrug-resistant leukemia cells, Computed Properties of 924-99-2, the publication is Acta Chimica Slovenica (2021), 68(2), 458-465, database is CAplus and MEDLINE.

A new series of substituted Et 7-cyclopropyl-2-(2-aryloxo)-3-nitro-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylates I (R = H, CHO; X = H, 4-Me, 4-Cl; Y = O, S) were prepared by utilizing Et 2-chloro-7-cyclopropyl-3-nitro-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate (1) and replacing of the 2-chlorine with anions obtained from phenol, salicylaldehyde derivatives like salicylaldehyde, 5-methylsalicylaldehyde and 5-chlorosalicylaldehyde or thiophenol, leading to the resp. Et 7-cyclopropyl-2-(2-aryloxo)-3-nitro-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylates I. The new compounds I were evaluated for their in vitro cytotoxicity towards sensitive CCRF-CEM and multidrug-resistant CEM/ADR5000 leukemia cells. The screening revealed that compounds I (R = X = H, Y = O; R = CHO, X = H, Y = O; R = X = H, Y = S) inhibited the growth of both cell lines. Compound I (R = CHO, X = H, Y = O), with a phenol moiety, exhibited the highest growth inhibitory activity against CEM/ADR5000 and CCRF-CEM cells with IC₅₀ values 4.486 ± 0.286 and 2.580 ± 0.550μM, resp. Collectively, the presented results demonstrate that the synthesized thieno[2,3-b]pyridines I warrant further exploration for potential use as anti-cancer agents.

Acta Chimica Slovenica published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, Computed Properties of 924-99-2.

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

Payami, Elmira published the artcileA novel composite electrode material derived from bisferrocenyl-functionalized GO and PANI for high performance supercapacitor, HPLC of Formula: 517-23-7, the publication is Electrochimica Acta (2020), 136712, database is CAplus.

A novel bisferrocenyl based epoxy compound was synthesized to be used for further surface modification of graphene oxide (GO). GO surface was firstly modified with ethylenediamine (EDA) as an amine linker and then bisferrocenyl based epoxy compound was covalently grafted to the GO surface through the epoxide ring opening reaction. Afterwards, polyaniline (PANI) nanofibers were phys. adsorbed onto the surface of the modified GO to obtain a potentially high-performance nanocomposite for battery-type supercapacitor applications. The surface modification, crystalline structure, morphol., composition, and microstructure of the synthesized nanocomposites were further studied using FTIR spectroscopy (FTIR), XRD, field emission SEM (FESEM), energy dispersive X-ray (EDX) and N₂ adsorption/desorption analyses, resp. Also, the electrochem. behavior of the synthesized nanocomposites was studied by electrochem. methods of cyclic voltammetry (CV), electrochem. impedance spectroscopy (EIS), galvanostatic charge-discharge measurement (GCD). The final nanocomposite electrode exhibited a charge storage capacity of 272 mAh g^-1, and capacity retention of 89% over 3000 CV cycles. A high energy d. of 69.3 Wh kg^-1 and high power d. of 6171 W kg^-1 were achieved in a sym. two-electrode configuration.

Electrochimica Acta 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, HPLC of Formula: 517-23-7.

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

DeTar, DeLos F. published the artcileTheoretical calculation of steric effects in ester hydrolysis, Related Products of esters-buliding-blocks, the publication is Journal of the American Chemical Society (1976), 98(25), 7903-8, database is CAplus.

Steric effects in aliphatic reaction series are represented quant. by Es values which are derived empirically. Es = -log krel = log k/k0 where k is the rate constant for acid-catalyzed hydrolysis of an aliphatic ester RCO2Et and k0 is the corresponding rate constant for AcOEt. Log krel = 0.340-0.789ΔSE where ΔSE = steric energy of RC(OH)3-steric energy of RCO2H. Steric energies are calculated by mol. mechanics using minor modifications of the Schleyer (1973) hydrocarbon force field; ΔSE values closely parallel ΔΔHf0 values. The standard deviation of Es is 0.24 and the correlation coefficient is -0.98 for 25 esters spanning a range of 4000 in relative rates. Rates are also calculated for another group of 20 esters for which only qual. information is available, and these extend the range of predicted relative rates to about 800,000. The success of these theor. calculations support the hypothesis that Es values do in fact measure steric effects for alkyl groups and that polar and steric effects are separable.

Journal of the American Chemical Society 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, Related Products of esters-buliding-blocks.

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

DeTar, DeLos F. published the artcileCalculations of steric hindrance in ester hydrolysis based on estimation of van der Waals strain energies of alkanes, Application In Synthesis of 5340-78-3, the publication is Journal of the American Chemical Society (1976), 98(15), 4567-71, database is CAplus.

The Taft Es parameters were calculated from the difference, ΔΔH,. In the ΔHf° of the neoalkane and the isoalkane where RCMe3 (R = alkyl) was the neoalkane. ΔHf°, estimated by mol. mechanics, gave the relation Es = 4.419 + 0.552.DELTA..DELTA.H with a standard deviation of 0.4 for a total range of 4Es units; the correlation coefficient was 0.94 for the hydrolysis of twenty-four RCO2Et(R = alkyl). Empirically estimated ΔHf° gave poor results.

Journal of the American Chemical Society 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, Application In Synthesis of 5340-78-3.

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

Wray, Sibyl published the artcileEfficacy and Safety Outcomes with Diroximel Fumarate After Switching from Prior Therapies or Continuing on DRF: Results from the Phase 3 EVOLVE-MS-1 Study, Name: Dimethyl fumarate, the publication is Advances in Therapy (2022), 39(4), 1810-1831, database is CAplus and MEDLINE.

Diroximel fumarate (DRF) is an oral fumarate for relapsing multiple sclerosis (MS) with the same active metabolite as di-Me fumarate (DMF). DRF has a safety/efficacy profile similar to DMF but with improved gastrointestinal (GI) tolerability and low (< 1%) treatment discontinuation due to GI adverse events (AEs). Efficacy and safety outcomes in patients who switched to DRF from other disease-modifying therapies (DMTs) have not been evaluated. EVOLVE-MS-1 is an ongoing, 2-yr, open-label, phase 3 study of DRF in adults with relapsing-remitting MS. Patients either entered as newly enrolled to DRF trials, or from the 5-wk, randomized, head-to-head, phase 3 EVOLVE-MS-2 study of DRF and DMF. This anal. evaluated safety and GI tolerability in patients continuing on DRF (DRF-rollover) or switching from DMF (DMF-rollover) following EVOLVE-MS-2. Safety and efficacy were evaluated in a subset of newly enrolled patients who had received prior glatiramer acetate (GA; GA/DRF) or interferons (IFN; IFN/DRF) as their most recent DMT, prior to switching to DRF in EVOLVE-MS-1. As of Sept. 1, 2020, 1057 patients were enrolled in EVOLVE-MS-1, including 166, 182, 239, and 225 patients in the GA/DRF, IFN/DRF, DRF-rollover, and DMF-rollover groups, resp. Treatment discontinuation due to GI AEs was < 1% in all groups. GA/DRF and IFN/DRF patients experienced improvements from baseline in clin. and radiol. efficacy outcomes, including significantly reduced annualized relapse rates. Rollover patients had low rates of new or recurrent GI AEs (DRF-rollover, 26.8%/4.2%; DMF-rollover, 27.1%/4.9%). After 2 years of DRF exposure, patients with prior GA, IFN, or fumarate treatment had safety outcomes consistent with previous fumarate studies. Efficacy in patients with prior GA or IFN treatment was consistent with previous fumarate studies. The data suggest that transition to DRF from GA, IFN, or DMF is a reasonable treatment strategy, with low rates of discontinuation due to GI AEs.

Advances in Therapy published new progress about 624-49-7. 624-49-7 belongs to esters-buliding-blocks, auxiliary class Inhibitor,Natural product, name is Dimethyl fumarate, and the molecular formula is C15H12O8, Name: Dimethyl fumarate.

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

Picard, Magali published the artcileInvolvement of Dimethyl Sulfide and Several Polyfunctional Thiols in the Aromatic Expression of the Aging Bouquet of Red Bordeaux Wines, Related Products of esters-buliding-blocks, the publication is Journal of Agricultural and Food Chemistry (2015), 63(40), 8879-8889, database is CAplus and MEDLINE.

The development of an aromatic bouquet during fine wine aging depends on complex transformations occurring in a reductive atm., favorable to the formation and preservation of sulfur odorants, such as di-Me sulfide (DMS) and polyfunctional thiols. The aim of this study was to address their role in the occurrence, evolution, and perceived sensory nuances of the aging bouquet of red Bordeaux wines. These compounds were quantified in 24 wines and scored by a professional wine panel for the degree to which they reflected the aging bouquet olfactory concept. Partial least square (PLS) anal., combining sensory and quant. chem. data, predicted that DMS, 2-furanmethanethiol, and 3-sulfanylhexanol concentrations correlated with the typicality score, discriminating highly-typical wines from less-typical ones. Several vintages from three vineyards were then subjected to sensory and chem. anal. to determine how aging bouquet typicality and the intensity of five key aromatic notes (undergrowth, truffle, fresh fruit, toasted, and empyreumatic) evolved during bottle storage in relation to these three sulfur odorants. PCA anal. emphasized their combined impact on aging bouquet typicality and their contribution to undergrowth, truffle, and empyreumatic attributes.

Journal of Agricultural and Food Chemistry published new progress about 19788-49-9. 19788-49-9 belongs to esters-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Ester, name is Ethyl 2-mercaptopropanoate, and the molecular formula is C5H10O2S, Related Products of esters-buliding-blocks.

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

Rajalakshmi, K. published the artcileVibrational assignments of α-acetyl -γ- butyrolactone by ab initio Hartree-Fock and density functional methods, Application of 3-Acetyldihydrofuran-2(3H)-one, the publication is International Journal of ChemTech Research (2018), 11(6), 145-159, database is CAplus.

The Fourier transform IR and FT-Raman spectra of α-acetyl-γ-butyrolactone have been recorded in region 4,000-400 and 4,000-100 cm^-1 resp. A complete assignment and anal. of fundamental vibration modes of the mol. have been carried out. The observed fundamental modes have been compared with harmonic vibration frequencies computed using d. functional theory calculations by employing B3LYP functional at 6-311 + G(d,p) level. UV-Visible spectrum of the compound has been recorded and electronic properties, such as HOMO (HOMO) and LUMO (LUMO) energies have been calculated with B3LYP/6-311 + + G(d,p) level. These calculated energies show that charge transfer occurs within mol. Mulliken population anal. and thermodn. properties of title compound have also been calculated

International Journal of ChemTech Research 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, Application of 3-Acetyldihydrofuran-2(3H)-one.

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

Han, Chunyu published the artcileTetra-substituted furans by a gold-catalysed tandem C(sp³)-H alkynylation/oxy-alkynylation reaction, SDS of cas: 30414-53-0, the publication is Organic Chemistry Frontiers (2021), 8(23), 6546-6552, database is CAplus.

A gold-catalyzed cascade C(sp³)-H alkynylation/oxy-alkynylation of acceptor-substituted carbonyl compounds with hypervalent iodine(III) reagents for the synthesis of tetra-substituted furans is described. This reaction involves two Au(I)/Au(III) catalytic cycles and proceeds through a C(sp³)-H alkynylation of a substituted ketone and a subsequent oxy-alkynylation of the generated 2-alkynyl ketone. This mild and simple method can tolerate a wide range of functionalities, offering distinct advantages over previous methods using PIDA as the external oxidant. Furthermore, a gram-scale synthesis is feasible and the synthesized furan product was readily transformed into other related compounds

Organic Chemistry Frontiers published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, SDS of cas: 30414-53-0.

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

Han, Chunyu published the artcileTetrasubstituted 1,3-Enynes by Gold-Catalyzed Direct C(sp²)-H Alkynylation of Acceptor-Substituted Enamines, Application In Synthesis of 30414-53-0, the publication is Organic Letters (2021), 23(12), 4764-4768, database is CAplus and MEDLINE.

A gold-catalyzed synthesis of tetrasubstituted 1,3-enynes from hypervalent iodine(III) reagents and activated alkenes is reported. This reaction involves an in situ formed alkynyl Au(III) species and a subsequent direct C(sp²)-H functionalization of alkenes, offering 26 enynes in 62-92% yield with excellent functional group tolerance.

Organic Letters published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, Application In Synthesis of 30414-53-0.

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

Perrier, Sebastien published the artcileProgress in RAFT/MADIX polymerization: synthesis, use, and recovery of chain transfer agents, Related Products of esters-buliding-blocks, the publication is ACS Symposium Series (2006), 438-454, database is CAplus.

We report the synthesis of novel chain transfer agents for RAFT/MADIX polymerization, and their use to mediate the polymerization of a variety of monomers, in order to produce a range of functional materials. After polymerization, the chain transfer agent is recovered in a one pot reaction, which also permits to introduce functional groups at the chain-end of the polymers.

ACS Symposium Series published new progress about 19788-49-9. 19788-49-9 belongs to esters-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Ester, name is Ethyl 2-mercaptopropanoate, and the molecular formula is C5H10O2S, Related Products of esters-buliding-blocks.

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