Tag: 100-200

Zhang, Cong-Cong; Chen, Li-Jun; Shen, Bao-Chun; Xie, Hui-Ding; Li, Wei; Sun, Zhong-Wen published their research in Organic & Biomolecular Chemistry in 2021. The article was titled 《Enantioselective decarboxylative Mannich reaction of β-keto acids with C-alkynyl N-Boc N,O-acetals: access to chiral β-keto propargylamines》.Related Products of 4248-19-5 The article contains the following contents:

A concise and efficient method for the enantioselective synthesis of β-keto propargylamines via chiral phosphoric acid-catalyzed asym. Mannich reaction between β-keto acids and C-alkynyl N-Boc N,O-acetals as easily available C-alkynyl imine precursors was demonstrated, affording a broad scope of β-keto N-Boc-propargylamines in high yields (up to 97%) with generally high enantioselectivities (up to 97 : 3 er). After reading the article, we found that the author used tert-Butyl carbamate(cas: 4248-19-5Related Products of 4248-19-5)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime.Typically the presence of an amine functional group is deduced by a combination of techniques, including mass spectrometry as well as NMR and IR spectroscopies. 1H NMR signals for amines disappear upon treatment of the sample with D2O. In their infrared spectrum primary amines exhibit two N-H bands, whereas secondary amines exhibit only one.Related Products of 4248-19-5

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Ester – an overview | ScienceDirect Topics

《One-step Conversion of Amides and Esters to Acid Chlorides with PCl3》 was written by Li, Fangshao; Wu, Xiaofang; Guo, Fengzhe; Tang, Zi-Long; Xiao, Jing. Synthetic Route of C8H7FO2 And the article was included in European Journal of Organic Chemistry in 2021. The article conveys some information:

A general and efficient iodine-promoted chlorination of amides RC(O)NR1R2 [R = Ph, 4-MeC6H4, 4-FC6H4, etc.; R1 = R2 = Me, n-Bu; R1 = H, Me, Ph; R3 = Ph] and esters RC(O)OMe [R = Ph, 4-MeC6H4, 4-BrC6H4, etc.] with phosphorus trichloride was described. For the first time various inactivated amides including secondary and tertiary amides were directly converted to the corresponding acid chlorides in one-step. The substrate scope of Me esters including aromatic and aliphatic esters was also explored under this system. This method was simple, scalable and wide in scope, which provided an approach to preparation of these acid chlorides. In the experimental materials used by the author, we found Methyl 4-fluorobenzoate(cas: 403-33-8Synthetic Route of C8H7FO2)

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.Synthetic Route of C8H7FO2

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

《Total synthesis of (S)-(+)-ent-phomapyrones B and surugapyrone B》 was written by Ohmukai, Hiroaki; Sugiyama, Yasumasa; Hirota, Akira; Kirihata, Mitsunori; Tanimori, Shinji. Application In Synthesis of Ethyl 2-methyl-3-oxobutanoate And the article was included in Journal of Heterocyclic Chemistry in 2020. The article conveys some information:

Phomapyrone B, the 2-pyrone isolated from the phytopathogenic fungus Leptosphaeria maculans, has been synthesized as the enantiomeric form (I) starting from (S)-2-methylbutanol. Surugapyrone B (II) isolated from Streptmyces sp. USF-6280 as an antioxidant has also been synthesized as the natural form. The absolute configuration of natural phomapyrone B was estimated to be the (R)-form and that of surugapyrone B (II) being the (S)-form. A series of 2-pyrone derivatives have been synthesized through the established procedure and their DPPH radical-scavenging activities have also been evaluated. After reading the article, we found that the author used Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3Application In Synthesis of Ethyl 2-methyl-3-oxobutanoate)

Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3) 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.Application In Synthesis of Ethyl 2-methyl-3-oxobutanoate

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

《Exploring adipose tissue structure by methylsalicylate clearing and 3D imaging》 was written by Gilleron, Jerome; Meziat, Cindy; Sulen, Andre; Ivanov, Stoyan; Jager, Jennifer; Esteve, David; Muller, Catherine; Tanti, Jeanfrancois; Cormont, Mireille. COA of Formula: C8H8O3 And the article was included in Journal of Visualized Experiments in 2020. The article conveys some information:

Obesity is a major worldwide public health issue that increases the risk to develop cardiovascular diseases, type-2 diabetes, and liver diseases. Obesity is characterized by an increase in adipose tissue (AT) mass due to adipocyte hyperplasia and/or hypertrophia, leading to profound remodeling of its three-dimensional structure. Indeed, the maximal capacity of AT to expand during obesity is pivotal to the development of obesity-associated pathologies. This AT expansion is an important homeostatic mechanism to enable adaptation to an excess of energy intake and to avoid deleterious lipid spillover to other metabolic organs, such as muscle and liver. Therefore, understanding the structural remodeling that leads to the failure of AT expansion is a fundamental question with high clin. applicability. In this article, we describe a simple and fast clearing method that is routinely used in our laboratory to explore the morphol. of mouse and human white adipose tissue by fluorescent imaging. This optimized AT clearing method is easily performed in any standard laboratory equipped with a chem. hood, a temperature-controlled orbital shaker and a fluorescent microscope. Moreover, the chem. compounds used are readily available. Importantly, this method allows one to resolve the 3D AT structure by staining various markers to specifically visualize the adipocytes, the neuronal and vascular networks, and the innate and adaptive immune cells distribution.Methyl Salicylate(cas: 119-36-8COA of Formula: C8H8O3) was used in this study.

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.COA of Formula: C8H8O3

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Desymmetrization of difluoromethylene groups by C-F bond activation》 was published in Nature (London, United Kingdom) in 2020. These research results belong to Butcher, Trevor W.; Yang, Jonathan L.; Amberg, Willi M.; Watkins, Nicholas B.; Wilkinson, Natalie D.; Hartwig, John F.. Application In Synthesis of Diethyl 2-methylmalonate The article mentions the following:

Tertiary stereogenic centers containing one fluorine atom are valuable for medicinal chem. because they mimic common tertiary stereogenic centers containing one hydrogen atom, but they possess distinct charge distribution, lipophilicity, conformation and metabolic stability1-3. Although tertiary stereogenic centers containing one hydrogen atom are often set by enantioselective desymmetrization reactions at one of the two carbon-hydrogen (C-H) bonds of a methylene group, tertiary stereocenters containing fluorine have not yet been constructed by the analogous desymmetrization reaction at one of the two carbon-fluorine (C-F) bonds of a difluoromethylene group3. Fluorine atoms are similar in size to hydrogen atoms but have distinct electronic properties, causing C-F bonds to be exceptionally strong and geminal C-F bonds to strengthen one another4. Thus, exhaustive defluorination typically dominates over the selective replacement of a single C-F bond, hindering the development of the enantioselective substitution of one fluorine atom to form a stereogenic center5,6. Here the authors report the catalytic, enantioselective activation of a single C-F bond in an allylic difluoromethylene group to provide a broad range of products containing a monofluorinated tertiary stereogenic center. By combining a tailored chiral iridium phosphoramidite catalyst, which controls regioselectivity, chemoselectivity and enantioselectivity, with a fluorophilic activator, which assists the oxidative addition of the C-F bond, these reactions occur in high yield and selectivity. The design principles proposed in this work extend to palladium-catalyzed benzylic substitution, demonstrating the generality of the approach. In the experimental materials used by the author, we found Diethyl 2-methylmalonate(cas: 609-08-5Application In Synthesis of Diethyl 2-methylmalonate)

Diethyl 2-methylmalonate(cas: 609-08-5) belongs to aliphatic hydrocarbons. Aliphatic hydrocarbons belong to the most abundant fraction in crude oil. Aliphatics molecules are linear or branched open-chain structures such as n-alkanes, isoalkanes, cycloalkanes (naphthenes), terpenes and steranes.Application In Synthesis of Diethyl 2-methylmalonate

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

《Experimental thermochemical data of CWA simulants: Triethyl phosphate, diethyl methylphosphonate, malathion and methyl salicylate》 was published in Journal of Chemical Thermodynamics in 2020. These research results belong to Bikelyte, Greta; Haertel, Martin A. C.; Klapoetke, Thomas M.; Krumm, Burkhard; Sadaunykas, Audrius. COA of Formula: C8H8O3 The article mentions the following:

This work focuses on the determination of important thermochem. properties of several chem. warfare agent (CWA) simulants: di-Et methylphosphonate (DEMP, CAS 683-08-9, 1), tri-Et phosphate (TEP, CAS 78-40-0, 2), malathion (CAS 121-75-5, 3) and Me salicylate (MS, 119-36-8, 4). Enthalpies of vaporization ΔglHom (298.15 K) (1: 56.8 ± 0.8 kJ mol-1; 2: 63.9 ± 0.9 kJ mol-1; 3: 101.4 ± 1.8 kJ mol-1; 4: 59.3 ± 0.8 kJ mol-1) and vapor pressures psat (298.15 K) (1: 43.9 Pa; 2: 12.5 Pa; 3: 1.4 mPa; 4: 14.5 Pa) were determined by the transpiration method in the ambient temperature range. The results were compared with existing literature values and critically evaluated. Data of DEMP , TEP and MS show agreement with most literature values, while results of malathion show a significant disagreement with the scarce available literature p-T data. The experimental part of the paper was very detailed, including the reaction process of Methyl Salicylate(cas: 119-36-8COA of Formula: C8H8O3)

Methyl Salicylate(cas: 119-36-8) has been used: as a component of clarifying solution for treating Mongolian gerbil cochlea intact for immunofluorescence analysis, as a plant elicitor to test its effect on reducing the whitefly population from tomato plants.COA of Formula: C8H8O3

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

《Radical Dehydroxylative Alkylation of Tertiary Alcohols by Ti Catalysis》 was published in Journal of the American Chemical Society in 2020. These research results belong to Xie, Hao; Guo, Jiandong; Wang, Yu-Quan; Wang, Ke; Guo, Peng; Su, Pei-Feng; Wang, Xiaotai; Shu, Xing-Zhong. Formula: C10H10O2 The article mentions the following:

Deoxygenative radical C-C bond-forming reactions of alcs. are a long-standing challenge in synthetic chem., and the current methods rely on multistep procedures. Herein, we report a direct dehydroxylative radical alkylation reaction of tertiary alcs. This new protocol shows the feasibility of generating tertiary carbon radicals from alcs. and offers an approach for the facile and precise construction of all-carbon quaternary centers. The reaction proceeds with a broad substrate scope of alcs. and activated alkenes. It can tolerate a wide range of electrophilic coupling partners, including allylic carboxylates, aryl and vinyl electrophiles, and primary alkyl chlorides/bromides, making the method complementary to the cross-coupling procedures. The method is highly selective for the alkylation of tertiary alcs., leaving secondary/primary alcs. (benzyl alcs. included) and phenols intact. The synthetic utility of the method is highlighted by its 10-g-scale reaction and the late-stage modification of complex mols. A combination of experiments and d. functional theory calculations establishes a plausible mechanism implicating a tertiary carbon radical generated via Ti-catalyzed homolysis of the C-OH bond. The experimental part of the paper was very detailed, including the reaction process of Benzyl acrylate(cas: 2495-35-4Formula: C10H10O2)

Benzyl acrylate(cas: 2495-35-4) has been used in preparation of high refractive index polyacrylates. Benzyl acrylate is used in the preparation of heptanoic acid benzyl ester. It is used to prepare polybenzylacrylate using azobisisobutyronitrile as initiator.Formula: C10H10O2

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

The author of 《Quantitative comparison of photo- and electron-beam polymerizations based on equivalent initiation energy》 were Schissel, Sage M.; Jessop, Julie L. P.. And the article was published in Radiation Physics and Chemistry in 2019. Recommanded Product: 2495-35-4 The author mentioned the following in the article:

Electron-beam (EB) and photopolymerization rely on radiation chem.; however, fundamental differences arise in initiation and energy deposition. Since photopolymerization has been widely studied, a quant. comparison would facilitate a better understanding of the kinetic and phys. impact of the EB initiation mechanism, which is substantially more difficult to characterize. Here, a protocol was developed that enables investigation of EB and photopolymerized films of equivalent initiation energies. Using this protocol, the impact of the initiation mechanism on energy rate effects (EREs) was characterized for a series of five acrylate monomers. Differences in polymer conversion and phys. properties were determined via Raman spectroscopy and dynamic mech. anal., resp. In comparison to the EB-polymerized films of equivalent initiation energy and energy rate, the photopolymerized films had equal or lower conversions. Addnl., monomer chem. was a key factor for differentiating ERE magnitude across the five-monomer series for both initiation mechanisms. Differences between initiation mechanisms were also demonstrated in Tg, FWHM of the tan δ peak, and the maximum tan δ peak height for two of the monomer formulations. Quantifying these differences not only improves knowledge of fundamental kinetics, but also provides a foundation for predictive chem. structure/processing parameter/polymer property relationships. In the part of experimental materials, we found many familiar compounds, such as 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

The author of 《Discovery of 2-phenylthiazole-4-carboxylic acid, a novel and potent scaffold as xanthine oxidase inhibitors》 were Xu, Xue; Deng, Liming; Nie, Lu; Chen, Yueming; Liu, Yanzhi; Xie, Rongrong; Li, Zheng. And the article was published in Bioorganic & Medicinal Chemistry Letters in 2019. COA of Formula: C4H7NO2S The author mentioned the following in the article:

The xanthine oxidase (XO) plays an important role in producing uric acid, and therefore XO inhibitors are considered as one of the promising therapies for hyperuricemia and gout. We have previously reported a series of XO inhibitors with pyrazole scaffold to extend the chem. space of current XO inhibitors. Herein, we describe further structural optimization to explore the optimal heterocycle by replacing the thiazole ring of Febuxostat with 5 heterocycle scaffolds unexplored in this field. All of these efforts resulted in the identification of compound 8, a potent XO inhibitor (IC50 = 48.6 nM) with novel 2-phenylthiazole-4-carboxylic acid scaffold. Moreover, lead compound 8 exhibited hypouricemic effect in potassium oxonate-hypoxanthine-induced hyperuricemic mice. These results promote the understanding of ligand-receptor interaction and might help to design more promising XO inhibitors. In the part of experimental materials, we found many familiar compounds, such as Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1COA of Formula: C4H7NO2S)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.COA of Formula: C4H7NO2S

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

The author of 《Triazole-based inhibitors of the Wnt/β-catenin signaling pathway improve glucose and lipid metabolisms in diet-induced obese mice》 were Obianom, Obinna N.; Ai, Yong; Li, Yingjun; Yang, Wei; Guo, Dong; Yang, Hong; Sakamuru, Srilatha; Xia, Menghang; Xue, Fengtian; Shu, Yan. And the article was published in Journal of Medicinal Chemistry in 2019. HPLC of Formula: 4949-44-4 The author mentioned the following in the article:

Wnt/β-catenin signaling pathway is implicated in the etiol. and progression of metabolic disorders. Although lines of genetic evidence suggest that blockage of this pathway yields favorable outcomes in treating such ailments, few inhibitors have been used to validate the promising genetic findings. Here, we synthesized and characterized a novel class of triazole-based Wnt/β-catenin signaling inhibitors and assessed their effects on energy metabolism One of the top inhibitors, I, promoted Axin stabilization, which led to the proteasome degradation of β-catenin and subsequent inhibition of the Wnt/β-catenin signaling in cells. Treatment of hepatocytes and high fat diet-fed mice with I resulted in significantly decreased hepatic lipid accumulation. Moreover, I improved glucose tolerance of high fat diet-fed mice without noticeable toxicity, while downregulating the genes involved in the glucose and fatty acid anabolisms. The new inhibitors are expected to be further developed for the treatment of metabolic disorders. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxopentanoate(cas: 4949-44-4HPLC of Formula: 4949-44-4)

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.HPLC of Formula: 4949-44-4

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