Tag: 100-200

Cariello Silva, Guilherme; de Souza, Gabriela F. P.; Salles, Airton G. Jr published an article in 2022. The article was titled 《Catalytic redox-neutral C-H functionalisation with TEMPO in water to access aminomethyl-substituted pyrroles》, and you may find the article in Organic & Biomolecular Chemistry.Computed Properties of C7H12O3 The information in the text is summarized as follows:

Synthesis of aminomethyl-substituted pyrroles I [R1 = H, 4-Me, 4-Cl, etc.; R2 = H, Me; R3 = R4 = Me, Et] via TEMPO-catalyzed redox-neutral C-H functionalization in water was reported. Starting from cheap and com. chem. feedstocks (ketoesters and anilines), this approach delivered targeted products I in good yields and represented an endeavour to address redox economy in radical transformations. The experimental process involved the reaction of Ethyl 3-oxopentanoate(cas: 4949-44-4Computed Properties of C7H12O3)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Computed Properties of C7H12O3

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Cheshmedzhieva, Diana; Ilieva, Sonia; Hadjieva, Boriana; Galabov, Boris published their research in Journal of Physical Organic Chemistry in 2021. The article was titled 《Hydrogen bonding probes electron density variations at the basic center in substituted alkyl benzoates: Theory and experiment》.Recommanded Product: Methyl 4-fluorobenzoate The article contains the following contents:

Theor. computations of charge d. parameters are juxtaposed to exptl. spectroscopic shifts induced by hydrogen bonding for a series of 21 substituted in the aromatic ring Et and Me benzoates. Strong correlations between at. charges at the proton accepting atom and the shifts of methanol O-H frequencies are established. Hirshfeld, Charge Model 5 (CM5), and natural population anal. (NPA) at. charges are evaluated using ωB97X-D/6-311++G(3df,2pd) and MP2/6-311++G(3df,2pd) computations. The results obtained reveal the power of hydrogen bond measurements in characterizing the variations of electron densities at the proton accepting center within a series of structurally related mols. The limits of application of the approach are outlined. The experimental process involved the reaction of Methyl 4-fluorobenzoate(cas: 403-33-8Recommanded Product: Methyl 4-fluorobenzoate)

Methyl 4-fluorobenzoate(cas: 403-33-8) is an organic fluorinated building block used for the synthesis of various pharmaceutical compounds. It can be used for the preparation of Blonanserin.Recommanded Product: Methyl 4-fluorobenzoate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Decarboxylative Conjunctive Cross-coupling of Vinyl Boronic Esters using Metallaphotoredox Catalysis》 was written by Mega, Riccardo S.; Duong, Vincent K.; Noble, Adam; Aggarwal, Varinder K.. Recommanded Product: 2495-35-4 And the article was included in Angewandte Chemie, International Edition in 2020. The article conveys some information:

Photochem. decarboxylation, arylation and borylation of carboxylic acids and α-amino acids catalyzed by 1,2,3,5-tetracarbazolyl. The synthesis of complex alkyl boronic esters through conjunctive cross-coupling of vinyl boronic esters with carboxylic acids and aryl iodides is described. The reaction proceeds under mild metallaphotoredox conditions and involves an unprecedented decarboxylative radical addition/cross-coupling cascade of vinyl boronic esters. Excellent functional-group tolerance is displayed, and application of a range of carboxylic acids, including secondary α-amino acids, and aryl iodides provides efficient access to highly functionalized alkyl boronic esters. The decarboxylative conjunctive cross-coupling was also applied to the synthesis of sedum alkaloids. After reading the article, we found that the author used Benzyl acrylate(cas: 2495-35-4Recommanded Product: 2495-35-4)

Benzyl acrylate(cas: 2495-35-4) is a reagent that can be used in the preparation of 2-(Phosphonomethyl)pentanedioic Acid, a selective glutamate carboxypeptidase 2 (GCP-II) inhibitor. It can also be used in the preparation of high refractive index polyacrylates.Recommanded Product: 2495-35-4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Category: esters-buliding-blocksIn 2022 ,《Pyrazolones as inhibitors of immune checkpoint blocking the PD-1/PD-L1 interaction》 appeared in European Journal of Medicinal Chemistry. The author of the article were Le Biannic, Raphael; Magnez, Romain; Klupsch, Frederique; Leleu-Chavain, Natascha; Thiroux, Bryan; Tardy, Morgane; El Bouazzati, Hassiba; Dezitter, Xavier; Renault, Nicolas; Vergoten, Gerard; Bailly, Christian; Quesnel, Bruno; Thuru, Xavier; Millet, Regis. The article conveys some information:

The microwave-assisted synthesis and the characterization of an innovative series of synthetic compounds I (R1 = pyridin-2-yl, pyrimidin-2-yl, Ph, etc.; R2 = Ph, Me, adamantan-1-yl, t-Bu, etc.) endowed with nanomolar activity against programmed death ligand 1 (PD-L1) were described. The properties of the compounds were characterized using several biophys. techniques including microscale thermophoresis (MST) and fluorescence resonance energy transfer (FRET) measurements. A few small mols. demonstrated a high affinity for human PD-L1, potently disrupted the PD-L1:PD-1 interaction and inhibited Src homol. region 2 domain-containing phosphatase (SHP2) recruitment to programmed death receptor 1 (PD-1). More than 30 mols. from the pyrazolone family have been synthesized and 5 highly potent quot PD-L1 silencing compounds” have been identified, based on in vitro measurements. Structure-activity relationships have been defined and ADME properties were evaluated. The phenyl-pyrazolone unit offers novel perspectives to design PD-L1-targeting agents, potentially useful to combat cancer and other pathologies implicating the PD-1/PD-L1 checkpoint. After reading the article, we found that the author used Ethyl 3-oxopentanoate(cas: 4949-44-4Category: esters-buliding-blocks)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Reference of Benzyl acrylateIn 2019 ,《Photoredox-Catalyzed Site-Selective α-C(sp3)-H Alkylation of Primary Amine Derivatives》 appeared in Angewandte Chemie, International Edition. The author of the article were Ashley, Melissa A.; Yamauchi, Chiaki; Chu, John C. K.; Otsuka, Shinya; Yorimitsu, Hideki; Rovis, Tomislav. The article conveys some information:

The synthetic utility of tertiary amines to oxidatively generate α-amino radicals is well established, however, primary amines remain challenging because of competitive side reactions. This report describes the site-selective α-functionalization of primary amine derivatives through the generation of α-amino radical intermediates. Employing visible-light photoredox catalysis, primary sulfonamides are coupled with electron-deficient alkenes to efficiently and mildly construct C-C bonds. Interestingly, a divergence between intermol. hydrogen-atom transfer (HAT) catalysis and intramol. [1,5] HAT was observed through precise manipulation of the protecting group. This dichotomy was leveraged to achieve excellent α/δ site-selectivity.Benzyl acrylate(cas: 2495-35-4Reference of Benzyl acrylate) was used in this study.

Benzyl acrylate(cas: 2495-35-4) is a reagent that can be used in the preparation of 2-(Phosphonomethyl)pentanedioic Acid, a selective glutamate carboxypeptidase 2 (GCP-II) inhibitor. It can also be used in the preparation of high refractive index polyacrylates.Reference of Benzyl acrylate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2022,Mirjalili, Bi Bi Fatemeh; Bamoniri, Abdolhamid; Fazeli-Attar, Seyede Azita published an article in Research on Chemical Intermediates. The title of the article was 《Nano-BFn/cellulose: a bio-based nano-catalyst for synthesis of bio-active 7-hydroxycoumarins》.Category: esters-buliding-blocks The author mentioned the following in the article:

Nano-BFn/cellulose as a modified bio-based nano-catalyst was synthesized from nanocellulose and boron triflouride via very simple steps. This novel nano-catalyst exhibited many advantages in the synthesis of 7-hydroxycoumarins, e.g., I such as good reaction time, high yield, and easy work-up method with reusability and environment friendly of nano-catalyst. After reading the article, we found that the author used Ethyl 3-oxopentanoate(cas: 4949-44-4Category: esters-buliding-blocks)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2022,Luo, Jingjie; Liu, Pengcheng; Yang, Wenhao; Niu, Hongyu; Li, Shaojie; Liang, Changhai published an article in Frontiers in Chemistry (Lausanne, Switzerland). The title of the article was 《Chemical kinetics and promoted Co-immobilization for efficient catalytic carbonylation of ethylene oxide into methyl 3-hydroxypropionate》.COA of Formula: C4H8O3 The author mentioned the following in the article:

The carbonylative transformation of ethylene oxide (EO) into Me 3- hydroxypropionate (3-HPM) is a key process for the production of 1,3- propanediol (1,3-PDO), which is currently viewed as one of the most promising monomers and intermediates in polyester and pharmaceuticals industry. In this work, a homogeneous reaction system using com. Co2(CO)8 was first studied for the carbonylation of EO to 3-HPM. The catalytic behavior was related to the electronic environment of N on aromatic rings of ligands, where N with rich electron d. induced a stronger coordination with Co center and higher EO transformation. A reaction order of 2.1 with respect to EO and 0.3 with respect to CO was unraveled based on the kinetics study. The 3-HPM yield reached 91.2% at only 40°C by Co2(CO)8 coordinated with 3-hydroxypyridine. However, Cocontaining colloid was formed during the reaction, causing the tough separation and impossible recycling of samples. Concerning the sustainable utilization, Co particles immobilized on pre-treated carbon nanotubes (Co/ CNT-C) were designed via an in situ reduced colloid method. It is remarkable that unlike conventional Co/CNT, Co/CNT-C was highly selective toward the transformation of EO to 3-HPM with a specific rate of 52.2 mmol · g-1 Co · h-1, displaying a similar at. efficiency to that of coordinated Co2(CO)8. After reaction, the supported Co/CNT-C catalyst could be easily separated from the liquid reaction mixture, leading to a convenient cyclic utilization. After reading the article, we found that the author used Methyl 3-hydroxypropanoate(cas: 6149-41-3COA of Formula: C4H8O3)

Methyl 3-hydroxypropanoate(cas: 6149-41-3) belongs to esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. COA of Formula: C4H8O3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2022,Naikwadi, Dhanaji R.; Mehra, Sanjay; Ravi, Krishnan; Kumar, Arvind; Biradar, Ankush V. published an article in ACS Sustainable Chemistry & Engineering. The title of the article was 《Cellulose@PO3H: As an Efficient and Recyclable Ionic Liquid-Enabled Catalytic Greener Approach to One-Step Synthesis of Flavoring Ketones》.Application of 609-14-3 The author mentioned the following in the article:

Cellulose (CL) is widely available from the renewable biomaterial on the earth with a large number of hydroxyl functionalities on its surface. The appropriate modification of these functionalities results in the acidic and basic nature of the surface. In this work, the phosphoric group-functionalized CL ionic liquid (IL) has been successfully synthesized through phosphorylation of the CL surface. The phosphorus functionalization of CL was carried out in two steps; first, synthesis of IL (3, 5-lutidinium Me phosphate [Lut][(MeO)(H)PO2]), followed by phosphorylation of cellulose (CLP-IL). Subsequently, CLP-IL has been characterized by various physicochem. techniques. Significant changes in the activity were observed, with marginal changes in the structural and morphol. properties of the native CL. CLP-IL has been utilized to synthesize industrially important flavoring ketones (FKs) via one-step alkylation-decarboxylation of active methylene compounds with substituted benzyl alcs. and halides. The functionalized CL IL could be quickly recovered in water and recycled at least five times without losing the catalytic activity. The optimized protocol has been successfully employed for the synthesis of FKs with an excellent conversion of substituted benzyl carbons in the range (90-100%) with 70-90% isolated yield of desired market valuable products. Furthermore, the mechanism was established by identifying the intermediates by physicochem. methods. After reading the article, we found that the author used Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3Application of 609-14-3)

Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.Application of 609-14-3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Virgen, Camila A.; Fox, James D.; Santariello, Peter; Winfield, Jaime L.; Wright, Kenneth C.; Verbeck, Guido F. published an article in 2021. The article was titled 《Portable membrane inlet mass spectrometric detection and analysis of chemical warfare agent simulants at the U.S. Army Dugway Proving Ground S/K challenge event》, and you may find the article in International Journal of Mass Spectrometry.Product Details of 119-36-8 The information in the text is summarized as follows:

There has been a significant demand for the development and improvement of technol. used for the detection and identification of Chem. Warfare Agents (CWAs). Some of the current detection technol. being used by the U. S. government includes multipass gas cell coupled Fourier Transform IR (FTIR) spectroscopy and Lightweight Chem. Detectors (LCD) systems. While these systems possess adequate sensitivity to detect CWAs in general, their anal. times are not considered rapid nor are they able to identify the specific CWA. The U. S. Army Dugway Proving Grounds annual S/K Challenge event provides the opportunity to assess the performance and reliability of prospective detection instrumentation being developed by researchers worldwide to optimize their performance. To do so, trial testing of CWA simulants in both indoor and outdoor environments was performed, mimicking past attack scenarios. Membrane Inlet Mass Spectrometric (MIMS) technol. on a portable system was successful in performing a rapid anal. along with identification of each CWA simulant utilized during the trials. The MIMS system can detect and quantify low-mass permeable compounds with parts-per-trillion limits of detection. This allows for anal. to be achieved within seconds after the initial exposure time, which is significantly faster than the FTIR and LCD systems currently used. In the experimental materials used by the author, we found Methyl Salicylate(cas: 119-36-8Product Details of 119-36-8)

Methyl Salicylate(cas: 119-36-8) is a natural herbivore-induced plant volatile. It is a naturally occurring product in trees, legumes, exotic plants, vegetables, berries, and the primary constituent of the oil of wintergreen.Methyl Salicylate is produced from salicylic acid.Product Details of 119-36-8

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Bernhardt, Bastian; Ruth, Marcel; Eckhardt, Andre K.; Schreiner, Peter R. published an article in 2021. The article was titled 《Ethynylhydroxycarbene (H-CC-C̈-OH)》, and you may find the article in Journal of the American Chemical Society.Name: Ethyl oxalyl monochloride The information in the text is summarized as follows:

The species on the C3H2O potential energy surface have long been known to play a vital role in extraterrestrial chem. Here we report on the hitherto uncharacterized isomer ethynylhydroxycarbene (H-CC-C̈-OH, 1) generated by high-vacuum flash pyrolysis of ethynylglyoxylic acid Et ester and trapped in solid argon matrixes at 3 and 20 K. Upon irradiation at 436 nm trans-1 rearranges to its higher lying cis-conformer. Prolonged irradiation leads to the formation of propynal. When the matrix is kept in the dark, 1 reacts within a half-life of ca. 70 h to propynal in a conformer-specific [1,2]H-tunneling process. Our results are fully consistent with computations at the CCSD(T)/cc-pVTZ and the B3LYP/def2-QZVPP levels of theory. In the experiment, the researchers used Ethyl oxalyl monochloride(cas: 4755-77-5Name: Ethyl oxalyl monochloride)

Ethyl oxalyl monochloride(cas: 4755-77-5) belongs to acyl chlorides. In the laboratory, acyl chlorides are generally prepared by treating carboxylic acids with thionyl chloride (SOCl2). The reaction is catalyzed by dimethylformamide and other additives.Name: Ethyl oxalyl monochloride

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics