Tag: M.W=150-200

Aubrecht, Jaroslav published the artcileDo metal-oxide promoters of Cu hydrogenolysis catalysts affect the Cu intrinsic activity?, Application of Dimethyl adipate, the publication is Applied Catalysis, A: General (2020), 117889, database is CAplus.

The well-established ester hydrogenolysis process has to be further improved to reduce its high energy demand and to replace used Adkins CuCr catalysts by chromium-free alternatives. In this study, the copper-based catalyst was modified by ZnO, ZnO with Al₂O₃ or MgO to elucidate the metal-oxide influence on catalyst structure, activity, performance and stability in ester hydrogenolysis. The catalysts composition, structure and physicochem. properties were examined by AAS, XRD, TPR, BET, N₂O-RFC, TGA-MS, NH₃-TPD and CO₂-TPD. It was confirmed that copper itself possesses high intrinsic activity for ester hydrogenolysis but the unpromoted copper species were very unstable. All used metal oxides were proven to be structural promoters stabilizing copper species and increasing the number of active sites. Consequently, they enhanced remarkably catalyst performance in di-Me adipate conversion despite the decreased intrinsic activity of Cu active sites. All prepared catalysts outperformed a com. CuCr catalyst in di-Me adipate hydrogenolysis.

Applied Catalysis, A: General 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, Application of Dimethyl adipate.

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

Morone, Marika published the artcile3-Ketoquinolones as new photoinitiators for free radical photopolymerization under LED, Recommanded Product: Ethyl 4-dimethylaminobenzoate, the publication is Polymer Chemistry (2022), 13(18), 2659-2664, database is CAplus.

A new class of photoinitiators for free radical photopolymerization based on 3-ketoquinolone chromophoric group is presented. Spectroscopic properties, quantum yield in triplet state and efficiency in formation of initiating radicals were measured. Photopolymerization experiments show that 3-ketoquinolones are effective photoinitiators for LED curing. Addnl. properties such as yellowing of cured films are also measured. These compounds appear to be interesting alternative to conventional type II photoinitiators.

Polymer Chemistry 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

Lo Turco, Vincenzo published the artcilePlasticizers and BPA in spices and aromatic herbs of Mediterranean areas, COA of Formula: C8H14O4, the publication is Natural Product Research (2020), 34(1), 87-92, database is CAplus and MEDLINE.

This research is carried out in order to characterize the actual contamination by two ubiquitous environmental pollutants, plasticizers and Bisphenol A, in spices (black pepper, caraway and coriander) and aromatic herbs (fennel, laurel, mint, oregano, rosemary, thyme and verbena) from Algeria (n = 26), Tunisia (n = 65) and Italy (n = 53). Algerian samples seem to contain fewer residues than Italian and Tunisian samples. Among the Italian samples, only aromatic herbs, precisely mint, oregano, and laurel, were contaminated. In general, all Tunisian samples showed five plasticizers residues: the caraway, among the spices, and the rosemary, among the aromatic herbs, are found to contain more residues. Also, dietary intake of these contaminants by spices and aromatic herbs under anal. seems not to constitute a risk to the consumers.

Natural Product Research 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, COA of Formula: C8H14O4.

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

Keshavarz, Mohammad Hossein published the artcileSimple and reliable prediction of toxicological activities of benzoic acid derivatives without using any experimental data or computer codes, Application In Synthesis of 5205-11-8, the publication is Medicinal Chemistry Research (2013), 22(3), 1238-1257, database is CAplus.

Most of the benzoic acid derivatives can exhibit toxicity through serious public health and environmental problems. A reliable correlation is introduced for desk calculation of benzoic acid derivatives in rats via oral 50 % LD (LD₅₀). It can be easily used for any benzoic acid compound containing the carbon, hydrogen, nitrogen, oxygen and halogen atoms, or their sodium salts. The novel correlation is based on nitrogens, oxygens, and halogens as well as two correcting functions for increasing and decreasing toxicity of benzoic derivatives, which arise from some specific structural moieties. The predicted results for the toxicity of 81 benzoic acid derivatives in rats via oral LD₅₀ are more reliable than reported values by training and test sets of quant. structure-toxicity relationship (QSTR). The forecasting ability of the new model has also been checked for further 134 benzoic acid derivatives containing complex mol. structures.

Medicinal Chemistry Research 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, Application In Synthesis of 5205-11-8.

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

Hocevar, Brigita published the artcileH₂-Free Re-Based Catalytic Dehydroxylation of Aldaric Acid to Muconic and Adipic Acid Esters, COA of Formula: C8H14O4, the publication is Angewandte Chemie, International Edition (2021), 60(3), 1244-1253, database is CAplus and MEDLINE.

As one of the most demanded dicarboxylic acids, adipic acid can be directly produced from renewable sources. Hexoses from (hemi)cellulose are oxidized to aldaric acids and subsequently catalytically dehydroxylated. Hitherto performed homogeneously, we present the first heterogeneous catalytic process for converting an aldaric acid into muconic and adipic acid. The contribution of leached Re from the solid pre-reduced catalyst was also investigated with hot-filtration test and found to be inactive for dehydroxylation. Corrosive or hazardous (HBr/H₂) reagents are avoided and simple alcs. and solid Re/C catalysts in an inert atm. are used. At 120°C, the carboxylic groups are protected by esterification, which prevents lactonization in the absence of water or acidic sites. Dehydroxylation and partial hydrogenation yield monohexenoates (93%). For complete hydrogenation to adipate, a 16% higher activation barrier necessitates higher temperatures

Angewandte Chemie, International Edition 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, COA of Formula: C8H14O4.

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

Dow, Nathan W. published the artcileDecarboxylative Borylation and Cross-Coupling of (Hetero)aryl Acids Enabled by Copper Charge Transfer Catalysis, Safety of 3-(Methoxycarbonyl)benzoic acid, the publication is Journal of the American Chemical Society (2022), 144(14), 6163-6172, database is CAplus and MEDLINE.

Authors report a copper-catalyzed strategy for arylboronic ester synthesis that exploits photoinduced ligand-to-metal charge transfer (LMCT) to convert (hetero)aryl acids into aryl radicals amenable to ambient-temperature borylation. This near-UV process occurs under mild conditions, requires no prefunctionalization of the native acid, and operates broadly across diverse aryl, heteroaryl, and pharmaceutical substrates. They also report a one-pot procedure for decarboxylative cross-coupling that merges catalytic LMCT borylation and palladium-catalyzed Suzuki-Miyaura arylation, vinylation, or alkylation with organo bromides to access a range of value-added products. The utility of these protocols is highlighted through the development of a heteroselective double-decarboxylative C(sp²)-C(sp²) coupling sequence, pairing copper-catalyzed LMCT borylation and halogenation processes of two distinct acids (including pharmaceutical substrates) with subsequent Suzuki-Miyaura cross-coupling.

Journal of the American Chemical Society 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, Safety of 3-(Methoxycarbonyl)benzoic acid.

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

Addington, Cody K. published the artcileEstimation of the Emission Characteristics of SVOCs from Household Articles Using Group Contribution Methods, Recommanded Product: Dimethyl adipate, the publication is Environmental Science & Technology (2020), 54(1), 110-119, database is CAplus and MEDLINE.

Human risk from consumer products chems. is a function of hazard and exposure. There is an effort to quantify chem. exposure due to household articles, e.g., furniture and building materials. Polymers and plastic materials make up a substantial portion of these articles, which may contain chem. additives, e.g., plasticizers. When these additives are not bound to the polymer matrix, they are free to diffuse throughout it and leach or be emitted from the surface. The authors implemented a method to predict plasticizer emissions from polyvinyl chloride (PVC) products, based on group contribution methods which considered a free volume effect to estimate activity coefficients for chems. in polymer-solvent solutions Using estimated activity coefficients, steady-state gas phase concentrations were calculated for plasticizers in equilibrium with the polymer surface (y₀). This method only used the structure of the chem. and polymer, the weight fraction, and physicochem. properties to rapidly estimate y₀ at different weight fractions in PVC. Using the predicted y₀ values and weight fraction data from public databases, plasticizer exposures associated with 72 PVC-containing articles were estimated using a high through-put model. Potential exposures associated with plasticizer substitutions in these products were also estimated

Environmental Science & Technology 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, Recommanded Product: Dimethyl adipate.

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

Wagener, Tobias published the artcileSynthesis of Saturated N-Heterocycles via a Catalytic Hydrogenation Cascade, COA of Formula: C10H10O4, the publication is Advanced Synthesis & Catalysis, database is CAplus.

Herein, a one-pot protocol for the synthesis of octahydroindoles I [R¹ = H, 3-Me, 6-CF₃, etc.], decahydroquinolines II [R² = H, 7-Me, 6-Et, etc.] and octahydroindolizine III•TsOH through a cascade reaction was presented.

Advanced Synthesis & Catalysis published new progress about 61874-04-2. 61874-04-2 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester,Aldehyde, name is Methyl 2-(3-formyl-4-hydroxyphenyl)acetate, and the molecular formula is C9H8O4, COA of Formula: C10H10O4.

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

Pibiri, Ivana published the artcilePhotochemical functionalization of allyl benzoates by C-H insertion, SDS of cas: 5205-11-8, the publication is Tetrahedron (2013), 69(30), 6065-6069, database is CAplus.

The photoreactivity of allyl benzoates, containing an electron-rich double bond, has been explored by irradiation at 305 nm in different solvents. Solvent addition products arising from an insertion of the alpha H-C bonds of THF, dioxane, and i-PrOH to the allylic double bond was realized. The observed reactivity depended on reaction conditions and substitution pattern of the substrate. A DFT study on this unusual reaction was performed allowing the formulation of two mechanistic pathways.

Tetrahedron 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, SDS of cas: 5205-11-8.

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

Schumacher, Soeren published the artcileTheoretical and Experimental Study of Monofunctional Vinyl Cyclopropanes Bearing Hydrogen Bond Enabling Side Chains, Category: esters-buliding-blocks, the publication is Macromolecules (Washington, DC, United States) (2021), 54(1), 11-21, database is CAplus.

The synthesis of four different monofunctional vinyl cyclopropane (VCP) derivatives and their polymerization behavior is presented. The different VCPs have different capabilities to form hydrogen bonds in their side chain. A preorganization due to these hydrogen bonds should lead to a fast polymerization Kinetic studies, hydrogen-bond strength, and theor. calculations were used to correlate the degree of conversion and the amount of preorganization. While VCPs capable of hydrogen bonding did not show a huge difference, a general effect of hydrogen bonds on polymerization behavior could be observed

Macromolecules (Washington, DC, United States) 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 C10H7NO3, Category: esters-buliding-blocks.

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