Tag: M.W=150-200

Crotti, Antonio E. M. published the artcileReal-time monitoring of a cobalt-mediated one-pot transition metal-catalyzed multicomponent reaction, Formula: C7H10O4, the publication is Inorganica Chimica Acta (2020), 119654, database is CAplus.

In this paper, pressurized sample infusion electrospray ionization mass spectrometry (PSI-ESI-MS) and FTIR spectroscopy were used to investigate the mechanism of a like-Barbier cobalt-mediated one-pot transition metal-catalyzed multicomponent reaction (MCR). The use of charge-tagged aryl halides allowed for the detection of cobalt(II)-promoted hydrodehalogenation products. Although these products were also detected in the off-line ESI-MS monitoring, the ability of PSI-ESI-MS to track real-time changes in the reaction mixture composition proved cobalt(II) was responsible for the undesired transformation. The occurrence of cobalt(II)-promoted hydrodehalogenation as a side reaction in this MCR had not been considered in previous mechanistic proposals and represents an important mechanistic consideration. In this paper, pressurized sample infusion electrospray ionization mass spectrometry (PSI-ESI-MS) and FTIR spectroscopy was used to investigate the mechanism of a like-Barbier cobalt-mediated one-pot transition metal-catalyzed multicomponent reaction (MCR). The use of charge-tagged aryl halides allowed for the detection of cobalt(II)-promoted hydrodehalogenation products. Although these products were also detected in the off-line ESI-MS monitoring, the ability of PSI-ESI-MS to track real-time changes in the reaction mixture composition proved cobalt(II) was responsible for the undesired transformation. The occurrence of cobalt(II)-promoted hydrodehalogenation as a side reaction in this MCR had not been considered in previous mechanistic proposals and represents an important mechanistic consideration.

Inorganica Chimica Acta published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H10O4, Formula: C7H10O4.

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

Zhu, Xiaotao published the artcileProtection of COOH and OH groups in acid, base and salt free reactions, Safety of 3-(Methoxycarbonyl)benzoic acid, the publication is Green Chemistry (2018), 20(7), 1444-1447, database is CAplus.

An iron-catalyzed general functional group protection method with inexpensive reagents was reported. This environmentally benign process did not use acids or bases and did not produce waste products. In most of the cases, purification beyond filtration and evaporation was unnecessary. Protection of carboxylic acids and phenols/alcs. was achieved under mild reaction conditions using Fe(OTf)₃, a Lewis acid catalyst in the absence of any acid, base or salt. Free COOH and OH groups were protected in a one-pot reaction.

Green Chemistry published new progress about 1877-71-0. 1877-71-0 belongs to esters-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Ester, name is 3-(Methoxycarbonyl)benzoic acid, and the molecular formula is C11H10O, Safety of 3-(Methoxycarbonyl)benzoic acid.

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

Wang, Chenglong published the artcilePreparation and Characterisation of Polyurethane Acrylate-Based Titanium Dioxide Pigment for Blue Light-Curable Ink, Computed Properties of 10287-53-3, the publication is Polymers (Basel, Switzerland) (2021), 13(22), 3977, database is CAplus and MEDLINE.

Herein, a polyurethane acrylate-based TiO₂ (PU-TiO₂ ) was fabricated using a two-step method. First, a polyurethane prepolymer was prepared Second, PU-TiO₂ was prepared using amino-modified TiO₂ (A-TiO₂ ). The best synthesis process of the polyurethane prepolymer was when the reaction temperature was 80°C, the reaction time was 3h and the R-value of the polyurethane acrylate was 2. Next, the influence of the A-TiO₂ content on the structure and performance of PU-TiO₂ was examined The anal. of the rheol. properties of the PU-TiO₂ ink indicated that its viscosity gradually increased as the A-TiO₂ content increased. The tensile performance of film improved because of the presence of A-TiO₂ . The photo-polymerization and photo-rheol. performance indicated that the PU-TiO₂ structure changed from a hyperbranched structure with TiO₂ as the core to a segmented structure, as the A-TiO₂ content was 3%.

Polymers (Basel, Switzerland) 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 C8H8O3, Computed Properties of 10287-53-3.

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

Wu, Tianxiao published the artcileRational drug design to explore the structure-activity relationship (SAR) of TRK inhibitors with 2,4-diaminopyrimidine scaffold, Quality Control of 350-19-6, the publication is European Journal of Medicinal Chemistry (2022), 114096, database is CAplus and MEDLINE.

Tropomyosin receptor kinase (TRK) is an ideal target for treating cancers caused by the NTRK gene fusion. In this study, more than 60 2,4-diaminopyrimidine derivatives were prepared to understand the structure-activity relationship and confirm the rationality of the pharmacophore model reported previously. Among them, compound I was found to be a potent pan-TRK inhibitor that inhibits the proliferation of Km-12 cell lines. Addnl., compound I induced the apoptosis of Km-12 cells in a concentration-dependent manner. Western blot anal. revealed that compound I inhibited the phosphorylation of TRK to block downstream pathways. Compound I also possessed outstanding plasma stability and liver microsomal stability in vitro, with half-lives greater than 289.1 min and 145 min, resp. Pharmacokinetic studies indicated that the oral bioavailability of compound I is 17.4%. These results demonstrate that compound I could serve as a novel lead compound for overcoming NTRK-fusion cancers.

European Journal of Medicinal Chemistry published new progress about 350-19-6. 350-19-6 belongs to esters-buliding-blocks, auxiliary class Fluoride,Benzene,Ester, name is Ethyl 3,5-difluorobenzoate, and the molecular formula is C19H14Cl2, Quality Control of 350-19-6.

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

Liu, Chengwei published the artcileHighly-chemoselective step-down reduction of carboxylic acids to aromatic hydrocarbons via palladium catalysis, COA of Formula: C9H8O4, the publication is Chemical Science (2019), 10(22), 5736-5742, database is CAplus and MEDLINE.

The highly selective method for the direct step-down reduction of carboxylic acids RCOOH (biphenyl-4-yl, 1-naphthyl, 1-methyl-1H-indole-3-yl, etc.) to arenes RH, proceeding via well-defined Pd(0)/(II) catalytic cycle was described. The method shows a remarkably broad substrate scope, enabling to direct the classical acyl reduction towards selective decarbonylation by a redox-neutral mechanism. The utility of this reaction is highlighted in the direct defunctionalization of pharmaceuticals and natural products, and further emphasized in a range of traceless processes using removable carboxylic acids under mild, redox-neutral conditions orthogonal to protodecarboxylation. Extensive DFT computations were conducted to demonstrate preferred selectivity for the reversible oxidative addition and indicated that a versatile hydrogen atom transfer (HAT) pathway is operable.

Chemical Science published new progress about 1877-71-0. 1877-71-0 belongs to esters-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Ester, name is 3-(Methoxycarbonyl)benzoic acid, and the molecular formula is C9H8O4, COA of Formula: C9H8O4.

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

Bielicka-Daszkiewicz, Katarzyna published the artcileExtraction of organic compounds released from dental materials, Quality Control of 10287-53-3, the publication is Microchemical Journal (2021), 106594, database is CAplus.

Extraction method based on polymer inclusion membranes device was used for isolation organic compounds released from dental materials. These compounds were isolated form artificial saliva solution Three different membranes were used, it based on cellulose triacetate and 2-nitrophenyloctyl ether as plasticizer. One of membranes addnl. contained Aliquat-336 as carrier of analytes. The best efficiency of polymer membranes was achieved between 80 and 100% for three components membrane. The retention properties of polymeric membranes was described and confirmed using Hansen Solubility Parameter determined for each isolated compound and membrane components. Determination of this parameter allows to describe the interaction between isolated compound and membrane, and conclude which membrane composition gives the best retention properties.

Microchemical Journal 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, Quality Control of 10287-53-3.

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

Bielicka-Daszkiewicz, Katarzyna published the artcileExtraction of organic compounds released from dental materials, Related Products of esters-buliding-blocks, the publication is Microchemical Journal (2021), 106594, database is CAplus.

Extraction method based on polymer inclusion membranes device was used for isolation organic compounds released from dental materials. These compounds were isolated form artificial saliva solution Three different membranes were used, it based on cellulose triacetate and 2-nitrophenyloctyl ether as plasticizer. One of membranes addnl. contained Aliquat-336 as carrier of analytes. The best efficiency of polymer membranes was achieved between 80 and 100% for three components membrane. The retention properties of polymeric membranes was described and confirmed using Hansen Solubility Parameter determined for each isolated compound and membrane components. Determination of this parameter allows to describe the interaction between isolated compound and membrane, and conclude which membrane composition gives the best retention properties.

Microchemical Journal 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, Related Products of esters-buliding-blocks.

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

Lefebvre, Quentin published the artcileOne Amine-3 Tasks: Reductive Coupling of Imines with Olefins in Batch and Flow, Recommanded Product: Dimethyl itaconate, the publication is Chemistry – A European Journal (2020), 26(6), 1363-1367, database is CAplus and MEDLINE.

An iridium-based photocatalyst promotes the direct reductive cross-coupling of imines Ar¹CH=NAr² (Ar¹ = C₆H₅, 2-CH₃OC₆H₄, 4-FC₆H₄, etc.; Ar² = C₆H₅, 4-FC₆H₄, 4-ClC₆H₄, 4-CH₃OC₆H₄) with olefins R¹R²C=CH₂ (R¹ = H, CH₃, NHC(O)CH₃, CH₂C(O)₂CH₃; R² = C(O)₂Me, S(O)₂Ph, C(O)₂(t-Bu), etc.) upon irradiation with visible light to give GABA derivatives Ar¹CH(NHAr²)CH₂CH(R¹)R² in good yields and selectivities. By enabling triple role of tributylamine additive in this process, the advantages of strategies based on proton-coupled electron transfer (PCET) and the scale-up of this reaction in continuous flow have been achieved.

Chemistry – A European Journal published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H10O4, Recommanded Product: Dimethyl itaconate.

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

Aubrecht, Jaroslav published the artcileCritical evaluation of parameters affecting Cu nanoparticles formation and their activity in dimethyl adipate hydrogenolysis, Synthetic Route of 627-93-0, the publication is Catalysis Today (2022), 61-71, database is CAplus.

Supported copper catalysts are promising alternative to replace CuCr catalysts in ester hydrogenolysis and decrease the environmental footprint of the process. However, the effect of the support properties on the Cu nanoparticles formation and, consequently, on the final hydrogenolysis performance has not been investigated in detail. Therefore, we have selected 10 supports with different textural-structural properties and impregnated them by incipient wetness impregnation to achieve 8 wt% Cu loading. Although the silica-based supports provided much larger surface area to deposit Cu compared to ZnO, MgO, or TiO₂, the final Cu dispersion was similar for these catalysts due to the insufficient electrostatic attraction. A significant improvement was observed when using ZrO₂ as a support, while the best Cu dispersion was achieved using alumina-based supports. The reduced catalysts were tested in di-Me adipate (DMA) hydrogenolysis to obtain hexane-1,6-diol (HDOL). Due to the good Cu dispersion ensured by ZrO₂ and alumina supports, they outperformed the rest of the catalysts reaching the highest DMA conversion of 36 and 22-25%, resp. Moreover, Cu-ZrO₂ reached the highest hydrogenolysis activity (TOFH) due to a good copper-zirconia interaction. The maximum HDOL selectivity of about 8% was obtained over alumina-based catalysts. The increasing number of acid-base sites was found to be responsible for decreasing HDOL selectivity. Over these sites, a large amount of transesterification byproducts (<80%) and other side products were formed. Although the larger support surface area may ensure a better Cu dispersion, the acid-base sites or electrostatic attraction during impregnation play a key role by affecting the Cu nanoparticle formation and, consequently, the final catalyst performance.

Catalysis Today 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, Synthetic Route of 627-93-0.

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

Aubrecht, Jaroslav published the artcileUnderstanding of the key properties of supported copper-based catalysts and their influence on ester hydrogenolysis, SDS of cas: 627-93-0, the publication is Catalysis Today (2022), 173-181, database is CAplus.

The application of Cr-free Cu-based catalysts in ester hydrogenolysis is a modern environmentally-friendly research approach. The comprehensive study of four supported Cu-based catalysts was performed using 8 wt% of Cu loaded on Al₂O₃, ZnO, TiO₂ and ZrO₂ supports by an impregnation method. Using XRD, H₂-TPR, BET, pyridine-TPD, CO₂-TPD and N₂O-RFC methods, the effect of the support on the formation of Cu-nanoparticles was described. Al₂O₃ was evaluated as the support ensuring the highest nanoparticles dispersion, while Cu nanoparticles in Cu-TiO₂ were liable to sintering. The catalysts were tested in di-Me adipate hydrogenolysis, where the catalyst performance and activity (TOF) were evaluated and Cu-ZrO₂ showed the best results. A correlation between the number of acid-base sites and the catalyst selectivity was revealed and the catalyst effect on the formation of various byproducts was described. The intrinsic selectivity to hydrogenolysis products was found to decrease with the increasing acid-base character of the supports whereas the selectivity to transesterification and cyclization products increased. The hydrogenolysis activity was not a simple function of the number of the surface copper atoms, but it was affected by the support nature and its properties.

Catalysis Today 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, SDS of cas: 627-93-0.

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