Tag: 100-200

A Free Radical Cyclization Catalyzed by Ruthenium Hydride Species was written by Kim, Rira;Kwon, Kuktae;Lee, Hee-Yoon. And the article was included in Chemistry – An Asian Journal in 2021.Electric Literature of C10H14O4 This article mentions the following:

A photolytically generated ruthenium hydride species catalyzing a free radical cyclization reaction was developed. As the new methodol. ensures reproducibility of the free radical reaction of n-Bu₃SnH and a fast hydrogen transfer to the radical intermediates, it provides fast quenching of radical intermediates and thus suppresses rearrangement of radical intermediates before the hydride quench. By offering new reactivity and selectivity to the trialkyltin hydride mediated free radical cyclization reactions, the methodol. will find wide range of applications in organic synthesis. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Electric Literature of C10H14O4).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Electric Literature of C10H14O4

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

Copper-Catalyzed Ring Opening of [1.1.1]Propellane with Alkynes: Synthesis of Exocyclic Allenic Cyclobutanes was written by Lasanyi, Daniel;Tolnai, Gergely L.. And the article was included in Organic Letters in 2019.COA of Formula: C9H10O3 This article mentions the following:

Despite the long history and interesting properties of propellanes, these compounds still have tremendous potential to be exploited in synthetic organic chem. Herein author disclose an exptl. simple procedure to achieve cyclobutane-containing allenes and alkynes through a copper-catalyzed ring opening of [1.1.1]propellane and subsequent reaction with ethynes. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6COA of Formula: C9H10O3).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.COA of Formula: C9H10O3

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

An Immunoassay To Evaluate Human/Environmental Exposure to the Antimicrobial Triclocarban was written by Ahn, Ki Chang;Kasagami, Takeo;Tsai, Hsing-Ju;Schebb, Nils Helge;Ogunyoku, Temitope;Gee, Shirley J.;Young, Thomas M.;Hammock, Bruce D.. And the article was included in Environmental Science & Technology in 2012.Quality Control of Methyl 4-(4-aminophenyl)butanoate This article mentions the following:

A sensitive, competitive indirect ELISA for the detection of the antimicrobial triclocarban (TCC) was developed. The haptens were synthesized by derivatizing the para position of a Ph moiety of TCC. The rabbit antisera were screened and the combination of antiserum 1648 and a heterologous competitive hapten containing a piperidine was further characterized. The IC₅₀ and detection range for TCC in buffer were 0.70 and 0.13-3.60 ng/mL, resp. The assay was selective for TCC, providing only low cross-reactivity to TCC-related compounds and its major metabolites except for the closely related antimicrobial 3-trifluoromethyl-4,4′-dichlorocarbanilide. A liquid-liquid extraction for sample preparation of human body fluids resulted in an assay that measured low part per billion levels of TCC in small volumes of the samples. The limits of quantification of TCC were 5 ng/mL in blood/serum and 10 ng/mL in urine, resp. TCC in human urine was largely the N- or N’-glucuronide. TCC concentrations of biosolids measured by the ELISA were similar to those determined by LC-MS/MS. This immunoassay can be used as a rapid, inexpensive, and convenient tool to aid researchers monitoring human/environmental exposure to TCC to better understand the health effects. In the experiment, the researchers used many compounds, for example, Methyl 4-(4-aminophenyl)butanoate (cas: 20637-09-6Quality Control of Methyl 4-(4-aminophenyl)butanoate).

Methyl 4-(4-aminophenyl)butanoate (cas: 20637-09-6) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Quality Control of Methyl 4-(4-aminophenyl)butanoate

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

Synthesis, DNA binding, topoisomerases inhibition, and cytotoxic properties of 4-arylcarboxamidopyrrolo-2-carboxyanilides was written by Dudouit, Fabienne;Goossens, Jean-Francois;Houssin, Raymond;Henichart, Jean-Pierre;Colson, Pierre;Houssier, Claude;Gelus, Nathalie;Bailly, Christian. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2000.Application of 5930-92-7 This article mentions the following:

N-aryl-4-benzamidopyrrolecarboxamides I (R = H, Me, PhCH₂) were synthesized and evaluated for their capacities to bind to specific sequences within the minor groove of DNA and to inhibit human topoisomerases I and II in vitro. The cytotoxicity of the drugs correlates with their DNA binding affinities. Compounds I (R = Me, PhCH₂) stabilize topoisomerase I-DNA complexes. In the experiment, the researchers used many compounds, for example, Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7Application of 5930-92-7).

Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. 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. Application of 5930-92-7

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

Synthesis and evaluation of phospholipid analogs as inhibitors of cobra venom phospholipase A₂ was written by Yuan, Wei;Berman, Richard J.;Gelb, Michael H.. And the article was included in Journal of the American Chemical Society in 1987.Name: Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate This article mentions the following:

Analogs of phospholipids that contain fluoro ketone, ketone, and alc. replacements for the ester at the 2-position of the glycerol backbone were prepared and analyzed as inhibitors of phospholipase A₂ from Naja naja naja venom. Phospholipid analogs were studied that contain two alkyl chains, e.g., I as well as single chain compounds, e.g., II that lack C(1) of the glycerol backbone and the attached acyl unit. Compounds that contain both long and medium length alkyl chains were studied. All of the potential inhibitors were tested in a well-defined mixed micelle system in which both the substrates and the inhibitors were incorporated into Triton X-100 micelles. The best inhibitors studied were the single chain fluoro ketones despite the fact that the enzyme has a strong preference for two-chain lipids. The most potent compound was found to have a dissociation constant some 1000-3000-fold lower than the Michaelis constant for dipalmitoyl phosphatidylcholine substrate. ¹⁹F-NMR studies of the fluoro ketone phospholipid analogs in micelles show that whereas the single chain compounds are partially in the hydrated-ketone form, the two-chain compounds are less than 0.1% hydrated. In every case studied, potent inhibition of phospholipase A₂ was observed only with those compounds that are significantly hydrated in the micelle, and it is suggested that the hydrated fluoro ketone containing phospholipid analogs are the species responsible for the inhibition. In addition, the single chain fluoro ketones were better inhibitors than single and double chain alc. and ketone analogs. Previous studies have shown that the cobra venom enzyme is activated by choline-containing lipids, and evidence is presented for the binding of the hydrated fluoro ketone inhibitors selectively to the activated enzyme. In the experiment, the researchers used many compounds, for example, Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate (cas: 82962-54-7Name: Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate).

Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate (cas: 82962-54-7) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Name: Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate

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

Key volatile compounds of ‘Fuji Kiku’ apples as affected by the storage conditions and shelf life: Correlation between volatile emission by intact fruit and juice extracted from the fruit was written by Donadel, Jossie Zamperetti;Thewes, Fabio Rodrigo;Anese, Rogerio de Oliveira;Schultz, Erani Eliseu;Berghetti, Magno Roberto Pasquetti;Ludwig, Vagner;Klein, Bruna;Cichoski, Alexandre Jose;Barin, Juliano Smanioto;Both, Vanderlei;Brackmann, Auri;Wagner, Roger. And the article was included in Food Research International in 2019.Related Products of 868-57-5 This article mentions the following:

For the ‘Fuji Kiku’ apple, this study aimed: (i) to evaluate the volatile compounds (VCs) from headspace storage chambers with static controlled atm. (CA) and with dynamic controlled atm. based on chlorophyll fluorescence (DCA-CF) and based on RQ (DCA-RQ1.5) at ninth month of storage, during 1 and 7 days of shelf life of intact fruit, and in apple juice headspace and (ii) to determine the correlation of the VCs in the headspace from storage chambers and fruit during shelf life with the headspace VCs from apple juice as markers of quality. The VCs were isolated by solid phase microextraction (HS-SPME) and analyzed by gas chromatog. In the storage chambers, Et linear chain esters were detected mainly in DCA-RQ1.5, while acetaldehyde and (E)-2-hexenal were more abundant in DCA-CF. At seven days of shelf life, fermentative metabolic compounds had reduced emissions given the opening time of the chamber, while there were higher emissions of branched chain esters, especially Et 2-Me butanoate in DCA-RQ1.5. The correlation was high and pos. between the VCs present in the juice and those emitted by the intact fruit during seven days of shelf life, demonstrating that the concentration of VCs in juice can be used to estimate the emissions from whole fruit. DCA-RQ1.5 storage promoted the synthesis of VCs typical of the ‘Fuji’ apple aroma after a prolonged storage period, even under extremely low partial pressure of oxygen (average 0.15 kPa), contributing to better quality control of characteristic fruit odor and aroma. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Related Products of 868-57-5).

Methyl2-methylbutyrate (cas: 868-57-5) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. 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. Related Products of 868-57-5

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

Synthesis of Nine-Membered Carbocycles by the [4+3+2] Cycloaddition Reaction of Ethyl Cyclopropylideneacetate and Dienynes was written by Saito, Shinichi;Maeda, Kyotaro;Yamasaki, Ryu;Kitamura, Takuya;Nakagawa, Minami;Kato, Korehito;Azumaya, Isao;Masu, Hyuma. And the article was included in Angewandte Chemie, International Edition in 2010.Safety of Diethyl 2-(prop-2-yn-1-yl)malonate This article mentions the following:

In presence of [Ni(cod)₂] and PPh₃, [4+3+2] cycloaddition reactions of Et cyclopropylideneacetate and dienynes gave nine-membered carbocyclic compounds E.g., reaction of Et cyclopropylideneacetate and (E)-2-[2-methyl-2,4-pentadienyl]-2-(2-propynyl)malonic acid di-Et ester gave 57% bicyclic compound I. In the experiment, the researchers used many compounds, for example, Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9Safety of Diethyl 2-(prop-2-yn-1-yl)malonate).

Diethyl 2-(prop-2-yn-1-yl)malonate (cas: 17920-23-9) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Safety of Diethyl 2-(prop-2-yn-1-yl)malonate

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

Comprehensive chemical characterisation of Durio zibethinus was written by Chua, L. S.;Lee, Y. C.. And the article was included in Acta Alimentaria in 2020.SDS of cas: 868-57-5 This article mentions the following:

This study investigated the chem. properties of Durio zibethinus (Durian) in Malaysia. The cultivars included in the present study were D101, D197, and Kampung. A wide range of chem. properties such as proximate nutritional content, minerals, total phenolic content was analyzed using established anal. methods. The antioxidant capacity in term of free radical scavenging activity was determined using colorimetric assay, whereas metabolite profiles of samples were analyzed by hyphenated high throughput tool like GC-MS. The results showed that D197 durian had the highest content of ash, protein, fat, and carbohydrate, but the lowest moisture level. Potassium was found to be the highest mineral (8.68-11.36 mg g^-1), followed by sodium (3.2-7.6 mg g^-1), magnesium (0.86-1.88 mg g^-1), and calcium (2.74-3.80 mg g^-1) in the tested cultivars. The major sulfur containing compounds (% relative peak area) such as hydrogen sulfide (5.0-8.3%), methanethiol (0.5-1.0%), ethanethiol (20.7-35.0%), 1-propanethiol (2.7-9.5%), and di-Et disulfide (0.6-1.9%), and esters, especially Et 2-methylbutanoate (10.0-15.0%), Me 2-methylbutanoate (1.0%), and Pr 2-methylbutanoate (1.5%) were detected when fresh samples were heated in headspace GC-MS. However, those compounds evaporated during ultrasound assisted extraction and oven drying even at 40°C. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5SDS of cas: 868-57-5).

Methyl2-methylbutyrate (cas: 868-57-5) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.SDS of cas: 868-57-5

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

Synthesis and pharmacological properties of ureidomethylcarbamoylphenylketone derivatives. A new potent and subtype-selective nonpeptide CCK-B/gastrin receptor antagonist, S-0509 was written by Hagishita, Sanji;Murakami, Yosushi;Seno, Kaoru;Kamata, Susumu;Haga, Nobuhiro;Konoike, Toshiro;Kanda, Yasuhiko;Kiyama, Ryuichi;Shiota, Takeshi;Ishihara, Yasunobu;Ishikawa, Michio;Shimamura, Mayumi;Abe, Koji;Yoshimura, Koji. And the article was included in Bioorganic & Medicinal Chemistry in 1997.Recommanded Product: 16413-26-6 This article mentions the following:

A novel series of CCK-B/gastrin receptor antagonists-ureidomethylcarbamoylphenylketone derivatives-were designed, synthesized, and evaluated for activity. Structure-activity relationship studies revealed the importance of a carboxylic acid at substituent R₂ and a tert-butoxycarbonyl group at R₁ in structure A. Ureidomethylcarbamoylphenylketone PhCO-2-C₆H₄N(CH₂CO₂CMe₃)COCH₂NHCONHC₆H₄-3-CO₂H (I) (S-0509) showed remarkable affinity for the CCK-B/gastrin receptor and a subtype selectivity profile in vitro. Administration (id) of I led to excellent inhibition of gastric acid secretion induced by pentagastrin in anesthetized rats with an ED₅₀ value of 0.014 mg/kg. Furthermore, I proved to have poor blood-brain permeability by its small effect on enhancement of morphine analgesia. Thus, I has an increase in selectivity for the peripheral effects of gastrin antagonism from the central effects of CCK-B antagonism. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Recommanded Product: 16413-26-6).

3-Cyanophenylisocyanate (cas: 16413-26-6) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Recommanded Product: 16413-26-6

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

Synthesis, carbonic anhydrase II/IX/XII inhibition, DFT, and molecular docking studies of hydrazide-sulfonamide hybrids of 4-methylsalicyl- and acyl-substituted hydrazide was written by Khushal, Adil;Mumtaz, Amara;Shadoul, Wamda Ahmed;Zaidi, Syeda Huda Mehdi;Rafique, Hummera;Munir, Abida;Maalik, Aneela;Shah, Syed Jawad Ali;Baig, Ayesha;Khawaja, Wajiha;Al-Rashida, Mariya;Hashmi, Muhammad Ali;Iqbal, Jamshed. And the article was included in BioMed Research International in 2022.Reference of 81245-24-1 This article mentions the following:

Synthesis of hydrazide-sulfonamide hybrids I [R = 4-Me, 3-MeO, 2-MeO-4-Me, 2-HO-4-Me, R¹ = 4-MeC₆H₄, 4-MeOC₆H₄, 4-O₂NC₆H₄, 4-BrC₆H₄, 2-naphthyl, n = 0, 1] was carried out by the reaction of aryl and acyl hydrazides with substituted sulfonyl chlorides. Final product formation was confirmed by FT-IR, NMR, and EI-MS. D. functional theory (DFT) calculations were performed on all the synthesized compounds to get the ground-state geometries and compute NMR properties. NMR computations were in excellent agreement with the exptl. NMR data. All the synthesized hydrazide-sulfonamide hybrids I were evaluated in vitro against CA II, CA IX, and CA XII isoenzymes for their carbonic anhydrase inhibition activities. Among the entire series, only compounds I [R = 2-MeO-4-Me, R¹ = 4-MeC₆H₄, n = 0; R = 3-MeO, R¹ = 4-O₂NC₆H₄, 2-naphthyl, n = 1] were highly selective inhibitors of hCA IX and did not inhibit hCA XII. To investigate the binding affinity of these compounds, mol. docking studies of compounds I [R = 3-MeO, R¹ = 4-O₂NC₆H₄, 2-naphthyl, n = 1] were carried out against both hCA IX and hCA XII. By using BioSolveIT’s SeeSAR software, further studies to provide visual clues to binding affinity indicate that the structural elements that were responsible for this were also studied. The binding of these compounds with hCA IX was highly favorable (as expected) and in agreement with the exptl. data. In the experiment, the researchers used many compounds, for example, Methyl 2-methoxy-4-methylbenzoate (cas: 81245-24-1Reference of 81245-24-1).

Methyl 2-methoxy-4-methylbenzoate (cas: 81245-24-1) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. 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. Reference of 81245-24-1

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