Month: December 2022

Azizi, Najmadin published the artcileA highly efficient synthesis of dithiocarbamates in green reaction media, Safety of Benzyl diethylcarbamodithioate, the publication is RSC Advances (2012), 2(19), 7413-7416, database is CAplus.

A deep eutectic solvent (DES) and polyethylene glycol (PEG), promoted the environmentally friendly and fast synthesis of dithiocarbamate derivatives via a one-pot, three-component condensation of an amine, carbon disulfide, and a variety of electrophilic reagents in high yields and short reaction times without organic solvents and tedious work-up. These green solvents can be recovered and recycled for subsequent reactions.

RSC Advances 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, Safety of Benzyl diethylcarbamodithioate.

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

Azizi, Najmadin published the artcileAn efficient synthesis of dithiocarbamates under ultrasound irradiation in water, Computed Properties of 3052-61-7, the publication is Monatshefte fuer Chemie (2012), 143(8), 1171-1174, database is CAplus.

Multicomponent reactions with ultrasonic activation were used as a simple, rapid, atom economic, and green method for the synthesis of dithiocarbamate derivatives in water. The one-pot, three-component condensation of primary and secondary amines with carbon disulfide and unsaturated carbonyl compounds or alkyl halides under ultrasonic irradiation was developed as a green and fast protocol for the rapid high-yielding preparation of dithiocarbamates in water.

Monatshefte fuer Chemie 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, Computed Properties of 3052-61-7.

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

Goma’a, Hebat-Allah M. published the artcileSynthesis, Biological Evaluation and In Silico Studies of 1,2,4-Triazole and 1,3,4-Thiadiazole Derivatives as Antiherpetic Agents, Related Products of esters-buliding-blocks, the publication is ChemistrySelect (2019), 4(21), 6421-6428, database is CAplus.

Two isosteric series of 1,2,4-triazole and 1,3,4-thiadiazole derivatives were synthesized and evaluated for their antiviral activity against herpes simplex virus type 1, HSV-1, using acyclovir (ACV) as a reference drug. In addition, mol. docking into the active site of HSV-1 thymidine kinase was performed to interpret the data obtained from biol. testing, and all compounds were subjected to an in-silico screening of their physicochem. properties to estimate their drug-likeness and safety. The results revealed that triazolopyrimidine derivative I was able to reduce the viral plaques by 50% at a dose of 80 μM, but interestingly, retained high selectivity compared to ACV (>200 μM vs. 80 μM). The best effective and safe compound in this study, triazolopyrimidine derivative I, was further tested for its combined effects with ACV on the anti-HSV-1 activity in the plaque reduction assay. This compound proved to improve the selectivity of ACV and reduce its ED that produced 100% inhibition of viral plaques. The compound I was suggested to be a promising candidate for further development as an antiherpetic agent. Mol. docking into the active site of HSV-1 thymidine kinase emphasized the superior interaction of the compound I.

ChemistrySelect 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, Related Products of esters-buliding-blocks.

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

Wilger, Dale J. published the artcileCatalytic hydrotrifluoromethylation of styrenes and unactivated aliphatic alkenes via an organic photoredox system, Synthetic Route of 5205-11-8, the publication is Chemical Science (2013), 4(8), 3160-3165, database is CAplus.

Herein is presented a direct method for the metal-free hydrotrifluoromethylation of alkenes. The method relies on the single electron oxidation of a com. available sodium trifluoromethanesulfinate salt (CF₃SO₂Na, Langlois reagent) by N-Me-9-mesitylacridinium as a photoredox catalyst. Me thiosalicylate is used as a substoichiometric H-atom donor for aliphatic alkenes, and thiophenol is used as a stoichiometric H-atom donor for styrenyl substrates. The substrate scope for the transformation is broad, including mono-, di- and trisubstituted aliphatic and styrenyl alkenes, with high regioselectivity in nearly all cases examined

Chemical Science 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 C8H10O2, Synthetic Route of 5205-11-8.

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

Cai, Xiuyu published the artcileCurrent-Voltage Hysteresis and Memory Effects in Ambipolar Organic Thin Film Transistors Based on a Substituted Oligothiophene, Related Products of esters-buliding-blocks, the publication is Journal of Physical Chemistry C (2007), 111(1), 452-456, database is CAplus.

An ambipolar 5,5”’-bis(fluoroalkyl)quarterthiophene exhibits memory effects in thin film transistors. The memory effect is based on hysteresis in the transfer (I_D-V_G) characteristics that is apparently due to charge trapping. Hysteresis induced by gate-bias stress was exploited to study nonvolatile floating gate memory effects. The ON state retention time for this memory device is ∼70 min. The temperature dependence of the retention time revealed a trapping mechanism with a trapping activation energy of ∼400 meV.

Journal of Physical Chemistry C published new progress about 129301-40-2. 129301-40-2 belongs to esters-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Ester,Ether, name is Methyl 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(perfluorobutoxy)ethoxy)acetate, and the molecular formula is C9H3F15O4, Related Products of esters-buliding-blocks.

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

Ockun, Mehmet Ali published the artcileComparative evaluation of phenolic profile and antioxidant activity of new sweet cherry (Prunus avium L.) genotypes in Turkey, Formula: C10H12O5, the publication is Phytochemical Analysis (2022), 33(4), 564-576, database is CAplus and MEDLINE.

Sweet cherry (Prunus avium L.), one of the most consumed fruits in the world, is rich in phenolic and especially anthocyanin content. The aim of this study was to evaluate the phenolic properties of 11 different sweet cherry genotypes collected from Giresun, Turkey. Total phenol, flavonoid, anthocyanin and antioxidant properties were observed spectrophotometrically in three different extraction (conventional, microwave-assisted and ultrasound-assisted) processes. Major phenolic, anthocyanin and antioxidant structures were visually assessed by high-performance thin layer chromatog. (HPTLC). Various phenolics in its structure were determined by liquid chromatog.-tandem mass spectrometry (LC-MS/MS). T2 and E5 genotypes had the highest content in terms of total phenol, flavonoid, anthocyanin and antioxidant activity. In HPTLC, cherry samples contained high levels of chlorogenic acid, neochlorogenic acid, p-coumaroylquinic acid, rutin and cyanidin-3 rutinoside. Among the phenolics examined in the LC-MS/MS method, the major compounds in the structure of cherry were found to be chlorogenic acid, rutin and catechin. The T2 genotype had higher phenolics than the other cherry samples (chlorogenic acid 19.3 mg/100 g; catechin; 3.8 mg/100 g; rutin 33.1 mg/100 g). As a result, T2 and E5 genotypes had higher phenolic and antioxidant activity compared to other genotypes and com. cultivars. It can be said that the antioxidant contents of these genotypes are due to the high anthocyanin amount in their structures. In addition, T2 genotype contained more major phenolics than other cherries. In the next stage, it is recommended to carry out studies on the cultivation of these two varieties.

Phytochemical Analysis published new progress about 121-79-9. 121-79-9 belongs to esters-buliding-blocks, auxiliary class Natural product, name is Propyl 3,4,5-trihydroxybenzoate, and the molecular formula is C10H12O5, Formula: C10H12O5.

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

Bayram, Nesrin Ecem published the artcilePhenolic and free amino acid profiles of bee bread and bee pollen with the same botanical origin – similarities and differences, SDS of cas: 121-79-9, the publication is Arabian Journal of Chemistry (2021), 14(3), 103004, database is CAplus.

In this study, the chem. profile of bee pollen (BP) and bee bread (BB) samples collected from the same beehive were analyzed by LC-MS/MS (liquid chromatog. technique coupled with tandem mass spectrometry), providing the identification of 23 phenolic compounds and 42 free amino acids (FAAs). Rutin was the phenolic compound with the highest rate of occurrence in both BP and BB samples. However, concentrations of protocatechuic acid, 2,5-dihydroxybenzoic acid and kaempferol compounds were significantly higher in BB samples than in BP samples from the same hive probably as result of microbial activity and glycosides degradation The obtained data revealed that the phenolic profiles of the samples differ not only by the type of a product but also by region. Among FAAs proline was the predominant compound in all the analyzed BP and BB samples followed by L-asparagine (BP samples) and L-aspartic acid (BP and BB samples). A high content of proline can be used as a parameter of sample freshness. Also, Principal Component Anal. (PCA) and Cluster anal. proved the possibility of using phlorizin as a chemotaxonomic marker for Rosaceae (Malus or Prunus genus) pollen presence in BP1 sample. In addition, amino acid profile had higher impact on BP and BB sample differentiation due to lower FAAs content in BB samples probably caused by microbial activity. To the best of our knowledge, this study is the first to compare the individual phenolic compounds and free amino acids of bee pollen and bee bread samples with the same botanical origin (predominantly originated from plants belonging to the following families: Asteraceae, Fabaceae, Plantaginaceae and Rosaceae).

Arabian Journal of Chemistry published new progress about 121-79-9. 121-79-9 belongs to esters-buliding-blocks, auxiliary class Natural product, name is Propyl 3,4,5-trihydroxybenzoate, and the molecular formula is C10H12O5, SDS of cas: 121-79-9.

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

Said, Mona F. published the artcileSynthesis and computational studies of novel fused pyrimidinones as a promising scaffold with analgesic, anti-inflammatory and COX inhibitory potential, Product Details of C6H8O3, the publication is European Journal of Medicinal Chemistry (2021), 113682, database is CAplus and MEDLINE.

Addressing the global need for the development of safe and potent NSAIDs, new series of oxadiazolo and thiadiazolo fused pyrmidinones were synthesized and initially tested for their analgesic activity. All tested compounds showed promising analgesic activity compared with the reference standard indomethacin. Moreover, anti-inflammatory activity evaluation, ulcerogenic liability, and in vitro COX-1, COX-2 enzyme inhibition assays were also performed for the most active derivatives The methoxyphenyl piperazinyl derivative I showed analgesic activity surpassing indomethacin with protection of 100%, and 83%; resp. Also I showed good anti-inflammatory activity with relatively lower ulcer index compared with other tested compounds, and potent COX-1 and COX-2 inhibitory activity with IC₅₀ = 0.140, 0.007μm, resp., and with a selectivity index of 20.00 which was better than the reference standards and the other tested congeners. Addnl., three compounds revealed moderate selectivity (SI = 3.53, 3.70 and 5.87, resp.). Moreover, in silico physicochem. parameters revealed that the new fused pyrimidinones demonstrated promising pharmacokinetic properties. Furthermore, computational studies in form of 2D-quant. structure-activity relationship (2D-QSAR) and 3D-pharmacophore confirmed the potential analgesic properties of the new target compounds

European Journal of Medicinal Chemistry 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, Product Details of C6H8O3.

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

Zhao, Menglu published the artcile3D-printed strong hybrid materials with low shrinkage for dental restoration, Safety of Ethyl 4-dimethylaminobenzoate, the publication is Composites Science and Technology (2021), 108902, database is CAplus.

Flowable photocurable resins can be printed effectively by stereolithog. 3D printing for dental applications; however, the 3D-printed objects′ mech. properties cannot meet the requirements for the dental restorative materials. In this study, a strong customized crown for tooth repair was first prepared via direct ink writing 3D printing from a high-viscosity hybrid paste of acrylic monomer and multi-scale inorganic particles. The results showed that the hybrid resin-based composites (RBCs) could be printed successfully and smoothly through a metal nozzle with a gradually shrinking channel. The theor. simulation of finite element methods was consistent with the experiment results. The printed objects were preliminarily cured incrementally and exhibited a low shrinkage ratio of only 2.58 ± 0.11%. The printed samples with criss-crossed layers by interrupting crack propagation exhibited superior mech. properties (a flexural strength of 120.8 ± 4.1 MPa and a compressive strength of 323.6 ± 5.6 MPa) than their traditional molding counterparts. Since the deposited layers exhibited improved resistance to bending forces, the flexural strength of the sample with a print orientation in adjacent layers (45-135°) even reached 145.5 ± 8.7 MPa. The RBCs were successfully used to print strong, high-performance and biocompatibility dental crowns, expected to provide a customized component for the clin. restoration of teeth.

Composites Science and Technology 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 C10H18O4, Safety of Ethyl 4-dimethylaminobenzoate.

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