Esters-buliding-blocks

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

Zhang, Lei published the artcileOxidase-Type C-H/C-H Coupling Using an Isoquinoline-Derived Organic Photocatalyst, Product Details of C6H8O4, the publication is Angewandte Chemie, International Edition (2022), 61(20), e202202649, database is CAplus and MEDLINE.

Herein, an isoquinoline-derived diaryl ketone-type photocatalyst I, which has much enhanced absorption of blue and visible light compared to conventional diaryl ketones was reported. This photocatalyst enables dehydrogenative cross-coupling of heteroarenes e.g., II with inactivated and activated alkanes viz. cyclohexane, THF, adamantane, etc. as well as aldehydes viz. propanal, pentanal, 3-methylbutanal, cyclopropanecarbaldehyde, cyclopentanecarbaldehyde using air as the oxidant. A wide range of heterocycles with various functional groups are suitable substrates. Transient absorption and excited-state quenching experiments point to an unconventional mechanism that involves an excited state ”self-quenching” process to generate the N-radical cation form of the sensitizer, which subsequently abstracts a hydrogen atom from the alkane substrate to yield a reactive alkyl radical.

Angewandte Chemie, International Edition 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 C10H6F17N, Product Details of C6H8O4.

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

Markovic, Rade published the artcileAn expedient solvent-free synthesis of (Z)-2-alkylidene-4-oxothiazolidine derivatives under microwave irradiation, COA of Formula: C5H10O2S, the publication is ARKIVOC (Gainesville, FL, United States) (2006), 83-90, database is CAplus.

A new and efficient microwave-assisted synthesis of (Z)-2-alkylidene-4-oxothiazolidines under solvent-free conditions and without solid support, is described. In comparison to conventional technique, exptl. evidence reveals the benefits of the MW-promoted synthesis of functionalized 4-oxothiazolidine derivatives in terms of simple workup, efficiency, and safe reproducibility. The method, as environmentally cleaner, was shown to be potentially applicable to similar chem. processes, such as the preparation of not easily obtainable 4-oxo-1,3-thiazinan-2-ylidenes.

ARKIVOC (Gainesville, FL, United States) 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, COA of Formula: C5H10O2S.

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

Yu, Bao published the artcileSilver(I) Oxide-/DBU-Promoted Synthesis of Dihydrofuran Units through Allenyl Silver Formation, Recommanded Product: 3-Acetyldihydrofuran-2(3H)-one, the publication is Chemistry – A European Journal (2020), 26(72), 17455-17461, database is CAplus and MEDLINE.

Herein, a formal [3+2] cyclization mediated by silver(I) oxide and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) was described. Through a broad variety of carbonyl compounds, this system can promote cyclization reactions with high yield (up to 85%) and diastereoselectivity (up to 95:5) for a straightforward access to complex and congested dihydrofuran derivatives in one step under mild conditions. Based on DFT studies, the proposed mechanism would involve an allenyl silver intermediate.

Chemistry – A European Journal 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 C4Br2N2O4S, Recommanded Product: 3-Acetyldihydrofuran-2(3H)-one.

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

Serqueira, Dalyelli S. published the artcileOxidative stability and corrosivity of biodiesel produced from residual cooking oil exposed to copper and carbon steel under simulated storage conditions: Dual effect of antioxidants, Safety of Propyl 3,4,5-trihydroxybenzoate, the publication is Renewable Energy (2021), 1485-1495, database is CAplus.

This work investigates the oxidative stability and corrosivity of residual cooking oil (RCO) Me biodiesel exposed to metallic coupons (copper and carbon steel) under simulated storage conditions (static immersion for 90 days within closed vessels) and the effect of antioxidants (tert-butylhydroquinone, curcumin, propylgallate, and butyl-hydroxyanisole) on biodiesel and metallic surfaces. The induction period measured during the experiment showed that all antioxidants retarded biodiesel degradation due to their antioxidant properties. Scanning-electron microscopy and X-ray diffraction of the metallic surfaces revealed the presence of oxides due to the corrosion by biodiesel in absence of antioxidants. Nevertheless, the presence of carbonaceous solids over the metallic surfaces was found which evidences the anticorrosive properties of the antioxidants, confirmed by X-Ray spectroscopy that showed increase in the content of carbon and oxygen on the surfaces. Measurements of corrosion rate also confirmed the anticorrosive action of all antioxidants. Hence, this work shows the dual properties of antioxidants acting as free radical scavengers in the RCO biodiesel as well as corrosive inhibitors, with a special performance of propylgallate, probably due to the presence of more hydroxyl groups in its structure that also may facilitate its interaction with the metallic surface.

Renewable Energy 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 C8H15NO, Safety of Propyl 3,4,5-trihydroxybenzoate.

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

Ding, Fengwei published the artcileAnalysis on volatile oil of Melia azedarach flowers by GC/MS, Application of Isobutyl palmitate, the publication is Shipin Yu Yaopin (2010), 12(3), 99-101, database is CAplus.

The constituents of volatile oils of Melia azedarach flowers were analyzed. The gas chromatog.-mass spectrometry (GC/MS) method was adopted. Seventy-four components of volatile oils were isolated and obtained. Among them, sixty-three components were identified. The volatile components of Melia azedarach flowers are mainly saturated alkanes, including hexadecanoic acid with the highest relative amount of 7.984% and octacosane with the lowest relative amount of 0.393%. This differs from the results in the previous report. The volatile components in different parts of Melia azedarach are also significantly different. Melia azedarach can be extracted and utilized on the basis of different parts.

Shipin Yu Yaopin published new progress about 110-34-9. 110-34-9 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ester, name is Isobutyl palmitate, and the molecular formula is C20H40O2, Application of Isobutyl palmitate.

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

Deng, Jifeng published the artcileThe highly potent and selective dipeptidyl peptidase IV inhibitors bearing a thienopyrimidine scaffold effectively treat type 2 diabetes, Recommanded Product: Methyl 2-amino-4-(trifluoromethyl)thiophene-3-carboxylate, the publication is European Journal of Medicinal Chemistry (2010), 46(1), 71-76, database is CAplus and MEDLINE.

Some dipeptidyl peptidase IV inhibitors, e.g., I, were designed based on alogliptin using a scaffold-hopping strategy. All of the compounds constructed on a thienopyrimidine scaffold demonstrated good inhibition and selectivity for DPP-IV. Compound I exhibited subnanomolar (IC₅₀ = 0.33 nM) DPP-IV inhibitory activity, good in vivo efficacy and an acceptable pharmacokinetic profile. A pharmacokinetic-driven optimization of I may lead to a class of clin. candidate DPP-IV inhibitors.

European Journal of Medicinal Chemistry published new progress about 1094619-74-5. 1094619-74-5 belongs to esters-buliding-blocks, auxiliary class Trifluoromethyl,Thiophene,Fluoride,Amine,Ester, name is Methyl 2-amino-4-(trifluoromethyl)thiophene-3-carboxylate, and the molecular formula is C7H6F3NO2S, Recommanded Product: Methyl 2-amino-4-(trifluoromethyl)thiophene-3-carboxylate.

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

Zhang, Chufeng published the artcileDesign, synthesis and evaluation of novel 7H-pyrrolo[2,3-d]pyrimidin-4-amine derivatives as potent, selective and reversible Bruton’s tyrosine kinase (BTK) inhibitors for the treatment of rheumatoid arthritis, Computed Properties of 115314-17-5, the publication is European Journal of Medicinal Chemistry (2019), 121-143, database is CAplus and MEDLINE.

A series of 7H-pyrrolo[2,3-d]pyrimidine derivatives was designed and synthesized as reversible BTK inhibitors, and evaluated for their kinase selectivity, anti-proliferative activity against the B-cell lymphoma cell lines (Ramos, Jeko-1) and cell line BTK enhanced (Daudi) in vitro. Among them, pyrrolo[2,3-d]pyrimidine I exhibited the most excellent potency (IC₅₀ = 3.0 nM against BTK enzyme, 8.52 μM, 11.10 μM and 7.04 μM against Ramos, Jeko-1, Daudi cells, resp.), good kinase selectivity and inhibited BTK Y223 auto-phosphorylation and PLCγ2 Tyr1217 phosphorylation. Importantly, the compound I showed effective anti-arthritic effect on collagen-induced arthritis (CIA) model in vivo. 60 Mg/kg dose level once a day group displayed markedly reduced joint damage and cellular infiltration without any bone and cartilage morphol. change.

European Journal of Medicinal Chemistry published new progress about 115314-17-5. 115314-17-5 belongs to esters-buliding-blocks, auxiliary class Epoxides,Chiral,Nitro Compound,Sulfonate,Benzene, name is (R)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate, and the molecular formula is C16H24BF4Ir, Computed Properties of 115314-17-5.

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

Chahal, Mandeep K. published the artcileMolecular Engineering of β-Substituted Oxoporphyrinogens for Hydrogen-Bond Donor Catalysis, Formula: C6H10O3, the publication is European Journal of Organic Chemistry (2020), 2020(1), 82-90, database is CAplus.

A new class of bifunctional hydrogen-bond donor organocatalyst using oxoporphyrinogens having increased intramol. hydrogen-bond donor distances is reported. Oxoporphyrinogens are highly non-planar rigid macrocycles containing a multiple hydrogen bond-forming binding site. In this work, we describe the first example of non-planar OxPs as hydrogen-bond donor catalysts prepared using a mol. engineering approach of the binding site for dual activation of substrates. The introduction of β-substituents is key to the catalytic activity and the catalysts are able to catalyze 1,4-conjugate additions and sulfa-Michael additions, as well as, Henry and aza-Henry reactions at low catalyst loadings (≤ 1 mol-%) under mild conditions (e.g., catalyst I). Preliminary mechanistic studies have been carried out and a possible reaction mechanism has been proposed based on the bi-functional activation of both substrates through hydrogen-bonding interactions.

European Journal of Organic Chemistry 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, Formula: C6H10O3.

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