Month: December 2022

Maier, Lukas published the artcileDiastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides, Computed Properties of 1040281-86-4, the publication is Journal of Organic Chemistry (2017), 82(7), 3382-3402, database is CAplus and MEDLINE.

Carbocyclic C-nucleosides are quite rare. Our route enables flexible preparation of three classes of these nucleoside analogs from common precursors-properly substituted cyclopentanones, which can be prepared racemic (in six steps) or optically pure (in ten steps) from inexpensive norbornadiene. The methodol. allows flexible manipulation of individual positions around the cyclopentane ring, namely highly diastereoselective installation of carbo- and heterocyclic substituents at position 1′, orthogonal functionalization of position 5′, and efficient inversion of stereochem. at position 2′. Newly prepared carbocyclic C-analog of tubercidine I, profiled in MCF7 (breast cancer) and HFF1 (human foreskin fibroblasts) cell cultures, is less potent than tubercidine itself, but more selectively toxic toward the tumorigenic cells.

Journal of Organic Chemistry published new progress about 1040281-86-4. 1040281-86-4 belongs to esters-buliding-blocks, auxiliary class Thiophene,Boronic acid and ester,Ester,Boronate Esters,Boronic Acids,Boronic acid and ester,Boronate Esters,, name is Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate, and the molecular formula is C12H17BO4S, Computed Properties of 1040281-86-4.

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

Hojatpanah, Mohammad Reza published the artcileConstruction and application of a novel electrochemical sensor for trace determination of uranium based on ion-imprinted polymers modified glassy carbon electrode, Recommanded Product: Trimethylolpropane triacrylate, the publication is Chemosphere (2022), 133435, database is CAplus and MEDLINE.

In the present work, a novel electrochem. sensor modified glassy carbon electrode with ion-imprinted polymers (IIP-GCE) was applied for uranyl ions (UO²⁺²) determination Surface modifier was synthesized through precipitation polymerization method, using acrylic acid as a monomer, benzoyl peroxide (BPO) as initiator, and trimethylolpropane triacrylate (TMPTA) as crosslinker. A new uranyl-trans-3-(3-pyridyl) acrylic acid complex was employed, serving as an active and specific site on the synthesized modifier. Next, the synthesized modifier was characterized using X-ray diffraction (XRD), SEM (SEM), and Fourier Transform IR Spectroscopy (FT-IR) techniques. UO²⁺² ions were detected using a differential pulse adsorptive anodic stripping voltammetry method. Under the optimized conditions (pH = 8.0, pre-concentration time = 10 min and pre-concentration potential = -0.30 V), the modified electrode exhibited linear behavior in the interval of 1.27-95.49μg.L^-1 with a limit of detection (LOD) of 0.43μg.L^-1. Also, the constructed ion-imprinted sensor showed a successful application for determining UO²⁺² ions with recovery range of 97.6-101% in real samples.

Chemosphere published new progress about 15625-89-5. 15625-89-5 belongs to esters-buliding-blocks, auxiliary class Polymerization Reagents,Crosslinkers, name is Trimethylolpropane triacrylate, and the molecular formula is C15H20O6, Recommanded Product: Trimethylolpropane triacrylate.

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

Zahra, Jalal A. published the artcileSynthesis of some ethyl 3-(aryldiazenyl)-7-oxodihydropyrido[2,3-f]quinoxaline-8-carboxylates, Category: esters-buliding-blocks, the publication is Zeitschrift fuer Naturforschung, B: Chemical Sciences (2007), 62(8), 1045-1051, database is CAplus.

Et 7,8-diamino-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate (6) and its free acid were prepared by chem. reduction of the resp. 7-azido-8-nitroquinoline. Consecutive nucleophilic addition and cyclocondensation reactions of 6 with α-acetyl-N-arylhydrazonoyl chlorides in EtOH and NEt₃ are site-selective and yield the corresponding 3-(arylazo)-2-methylpyrido[2,3-f]quinoxalines.

Zeitschrift fuer Naturforschung, B: Chemical Sciences 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 C8H5F3O3, Category: esters-buliding-blocks.

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

Ishizu, Koji published the artcileControlled radical polymerization of 2-hydroxyethyl methacrylate initiated by photofunctional 2-(N,N-diethyldithiocarbamyl)isobutyric acid, Formula: C12H17NS2, the publication is Journal of Polymer Science, Part A: Polymer Chemistry (2003), 42(1), 76-82, database is CAplus.

We demonstrated that d. functional theory calculations provide a reliable and quant. prediction of the trends in C-S bond dissociation energies using several model compounds as photoinitiator. On the basis of this information, we designed a possible photofunctional initiator for the polymerization of hydrophilic vinyl monomers. Photopolymerization of 2-hydroxyethyl methacrylate (HEMA) was carried out in ethanol initiated by 2-(diethyldithiocarbamoyl)isobutyric acid under UV irradiation We obtained first-order time-conversion plots in this polymerization system, and the straight line in the semilogarithmic coordinates indicated first order in monomer. The mol. weight of the prepared poly(2-hydroxyethyl methacrylate) (PHEMA) increased with increasing conversion. The mol. weight distribution (M_w/M_n) of the PHEMA was about 1.5. Me methacrylate could also be polymerized in a living fashion with such a PHEMA precursor as a macroinitiator because PHEMA exhibited a dithiocarbamate group at its terminal end. This system could be applied to the architecture of amphiphilic block copolymers. It was concluded that these polymerization systems proceeded with a controlled radical mechanism.

Journal of Polymer Science, Part A: Polymer Chemistry published new progress about 3052-61-7. 3052-61-7 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Amide, name is Benzyl diethylcarbamodithioate, and the molecular formula is C12H17NS2, Formula: C12H17NS2.

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

Khan, Sher Bahadar published the artcileTyrosinase inhibitory effect of benzoic acid derivatives and their structure-activity relationships, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate, the publication is Journal of Enzyme Inhibition and Medicinal Chemistry (2010), 25(6), 812-817, database is CAplus and MEDLINE.

A series of benzoic acid derivatives 1-10 have been synthesized by two different methods. Compounds 1-6 were synthesized by a facile procedure for esterification using N,N’-dicyclohexylcarbodiimide (DCC) as a coupling agent, methylene chloride as a solvent system and dimethylaminopyridine (DMAP). While 7-10 were synthesized by converting benzoic acid into benzoyl chloride by treating with thionyl chloride in the presence of benzene and performing a further reaction with amine in dried benzene. The structures of all the synthesized derivatives of benzoic acid (1-10) were assigned on the basis of extensive NMR studies. All of them showed inhibitory potential against tyrosinase. Among them, compound 7 was the most potent (1.09 μM) when compared with the standard tyrosinase inhibitors of kojic acid (16.67 μM) and L-mimosine (3.68 μM). Finally in this paper, we have discussed the structure-activity relationships of the synthesized mols.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C12H14O2, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate.

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

Casanola-Martin, Gerardo M. published the artcileRetrained classification of tyrosinase inhibitors and “in silico” potency estimation by using atom-type linear indices: a powerful tool for speed up the discovery of leads, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate, the publication is International Journal of Chemoinformatics and Chemical Engineering (2012), 2(2), 42-144, database is CAplus.

In this paper, the authors present an effort to increase the applicability domain (AD) by means of retraining models using a database of 701 great dissimilar mols. presenting anti-tyrosinase activity and 728 drugs with other uses. Atom-based linear indexes and best subset linear discriminant anal. (LDA) were used to develop individual classification models. Eighteen individual classification-based QSAR models for the tyrosinase inhibitory activity were obtained with global accuracy varying from 88.15-91.60% in the training set and values of Matthews correlation coefficients (C) varying from 0.76-0.82. The external validation set shows globally classifications above 85.99% and 0.72 for C. All individual models were validated and fulfilled by OECD principles. A brief anal. of AD for the training set of 478 compounds and the new active compounds included in the re-training was carried out. Various assembled multiclassifier systems contained eighteen models using different selection criterions were obtained, which provide possibility of select the best strategy for particular problem. The various assembled multiclassifier systems also estimated the potency of active identified compounds Eighteen validated potency models by OECD principles were used.

International Journal of Chemoinformatics and Chemical Engineering published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C12H14O2, Recommanded Product: 3-Methylbut-2-en-1-yl benzoate.

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

Ghalloo, Bilal Ahmad published the artcilePhytochemical Profiling, In Vitro Biological Activities, and In Silico Molecular Docking Studies of Dracaena reflexa, Quality Control of 627-93-0, the publication is Molecules (2022), 27(3), 913, database is CAplus and MEDLINE.

Dracaena reflexa, a traditionally significant medicinal plant, has not been extensively explored before for its phytochem. and biol. potential. The present study was conducted to evaluate the bioactive phytochems. and in vitro biol. activities of D. reflexa, and perform in silico mol. docking validation of D. reflexa. The bioactive phytochems. were assessed by preliminary phytochem. testing, total bioactive contents, and GC-MS anal. For biol. evaluation, the antioxidant (DPPH, ABTS, CUPRAC, and ABTS), antibacterial, thrombolytic, and enzyme inhibition (tyrosinase and cholinesterase enzymes) potential were determined The highest level of total phenolic contents (92.72 ± 0.79 mg GAE/g extract) was found in the n-butanol fraction while the maximum total flavonoid content (110 ± 0.83 mg QE/g extract) was observed in methanolic extract The results showed that n-butanol fraction exhibited very significant tyrosinase inhibition activity (73.46 ± 0.80) and acetylcholinesterase inhibition activity (64.06 ± 2.65%) as compared to other fractions and comparable to the standard compounds (kojic acid and galantamine). The methanolic extract was considered to have moderate butyrylcholinesterase inhibition activity (50.97 ± 063) as compared to the standard compound galantamine (53.671 ± 0.97%). The GC-MS anal. of the n-hexane fraction resulted in the tentative identification of 120 bioactive phytochems. Furthermore, the major compounds as identified by GC-MS were analyzed using in silico mol. docking studies to determine the binding affinity between the ligands and the enzymes (tyrosinase, acetylcholinesterase, and butyrylcholinesterase enzymes). The results of this study suggest that Dracaena reflexa has unquestionable pharmaceutical importance and it should be further explored for the isolation of secondary metabolites that can be employed for the treatment of different diseases.

Molecules published new progress about 627-93-0. 627-93-0 belongs to esters-buliding-blocks, auxiliary class Ploymers, name is Dimethyl adipate, and the molecular formula is C8H14O4, Quality Control of 627-93-0.

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

Bukhari, Jaffar Hussain published the artcileLow-temperature flow-synthesis-assisted urethane-grafted zinc oxide-based dental composites: physical, mechanical, and antibacterial responses, Recommanded Product: Ethyl 4-dimethylaminobenzoate, the publication is Journal of Materials Science: Materials in Medicine (2021), 32(8), 87, database is CAplus and MEDLINE.

A novel way was adopted to graft zinc oxide (ZnO) with urethane-modified dimethacrylate (UDMA) in order to utilize them as reinforcing agents in resin-based dental composites. Exptl. novel composites were synthesized having UDMA-grafted and nongrafted ZnO, at a concentration of 0 weight%, 5 weight%, and 10 weight%. The same concentrations of ZnO were also incorporated in Filtek Z250 XT (3 M ESPE, USA). The antibacterial behavior was evaluated against Streptococcus mutans by direct-contact test at one, three, and seven days of incubation. The compressive strength and Vickers microhardness were tested as per ISO 9917 and ISO/CD6507-1, resp. For abrasive wear resistance, mass loss and roughness average after tooth-brushing cycles of 24,000 at custom-made tooth-brushing simulator were evaluated using noncontact profilometer. Data anal. was carried out using post hoc Tucky′ s test and nonparametric Kruskal-Wallis test. Direct contact test revealed that the antibacterial potential of novel and com. composites was increased with an increase in the concentration of grafted ZnO as compared with nongrafted, whereby the potential was the highest at day seven. There was a significant decrease in compressive strength and Vickers hardness of com. composites on addition of grafted ZnO while there was no significant difference in the strength of exptl. novel composite. The abrasive wear of com. and exptl. composites was within clin. limits. Low-temperature flow-synthesis method was successfully employed to synthesize grafted and nongrafted ZnO. The UDMA-grafted ZnO can be incorporated into dental composites without decreasing their strength and these composites can be used to combat secondary caries.

Journal of Materials Science: Materials in Medicine published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C11H15NO2, Recommanded Product: Ethyl 4-dimethylaminobenzoate.

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

Tripathi, Rama Pathi published the artcileSyntheses and spermicidal activities of dithiocarbamates, Quality Control of 3052-61-7, the publication is Acta Pharmaceutica (Zagreb) (1996), 46(3), 169-176, database is CAplus.

Dithiocarbamates R¹C(:S)S^–Na⁺ [I; R¹ = Et₂N, 1-piperidinyl, 4-morpholinyl, 4-methyl-1-piperazinyl, 4-(phenylmethyl)-1-piperazinyl] and several different esters of N,N-diethyldithiocarbamic acid were synthesized, and some of them evaluated as spermicides. The compounds I as well as Et₂NC(:S)SMe and Et₂NC(:S)SCH₂CO₂H showed 100% spermicidal activity at 0.5% or 0.1% concentration

Acta Pharmaceutica (Zagreb) published new progress about 3052-61-7. 3052-61-7 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Amide, name is Benzyl diethylcarbamodithioate, and the molecular formula is C8H8BFO2, Quality Control of 3052-61-7.

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

Taib, Layla Ahmed published the artcileSolvent-free synthesis of 4-substituted coumarins catalyzed by novel Bronsted acidic ionic liquids with perchlorate anion: a convenient and practical complementary method for pechmann condensation, Safety of 3-Acetyldihydrofuran-2(3H)-one, the publication is Reaction Kinetics, Mechanisms and Catalysis (2021), 133(1), 383-403, database is CAplus.

Herein, three novel sulfonic-functionalized Bronsted acidic ionic liquids containing perchlorate anion counterparts e.g., I were prepared These ionic liquid catalysts e.g., I were prepared through simple and ecofriendly procedures and then applied as efficient catalysts with high yields under solvent-free conditions for the synthesis of 4-substituted coumarins e.g., II through the Pechmann condensation of different phenols e.g., naphthalen-1-ol and β-ketoesters R(O)CH(R¹)C(O)OR² [R = Me, Ph; R¹ = H; R² = Et; R¹R² = -(CH₂)₂-]. Compared to previous works, the proposed method offers several benefits, such as cleaner reactions, decreased reaction times, high yields, and the lack of laborious workup or purification procedures. Particularly, these catalysts make the condensation of less activated phenols feasible. Besides the described benefits, this advanced protocol was applied successfully for the synthesis of coumarins e.g., III from γ-lactone as 3-acetyldihydrofuran-2(3H)-one. The simplicity in operation, applicability and feasibility of this protocol for diverse substrates make it an efficient alternative to conventional methods.

Reaction Kinetics, Mechanisms and Catalysis 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 C26H41N5O7S, Safety of 3-Acetyldihydrofuran-2(3H)-one.

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