Category: esters-buliding-blocks

Library Synthesis Using 5,6,7,8-Tetrahydro-1,6-naphthyridines as Scaffolds was written by Zhou, Ya;Beeler, Aaron B.;Cho, Sanghyun;Wang, Yuehong;Franzblau, Scott G.;Snyder, John K.. And the article was included in Journal of Combinatorial Chemistry in 2008.Related Products of 16413-26-6 This article mentions the following:

The chem. of 5,6,7,8-tetrahydro-1,6-naphthyridine scaffolds I [R = H, R¹ = Me, R² = Ph, CH₂OPh, n-Bu; R¹ = Ph, R² = 2-Me-4-MeOC₆H₃], synthesized by intramol. cobalt-catalyzed [2 + 2 + 2] cyclizations, has been exploited for library synthesis. Urea, amide, and sulfonamide formations were used in the synthesis of a 101-membered library. Screening of the library for antituberculosis activity revealed three lead compds I [R = (R)-PhCH(Me)NHCO, 4-MeOC₆H₄NHCO, 4-NCC₆H₄SO₂, R¹ = Ph, R² = 2-Me-4-MeOC₆H₃]. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Related Products of 16413-26-6).

3-Cyanophenylisocyanate (cas: 16413-26-6) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Related Products of 16413-26-6

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

Regioselective Syntheses of 1,2-Benzothiazine 1-Imines by Rhodium-Catalyzed Annulation Reactions of Sulfondiimines was written by Bohmann, Rebekka Anna;Schoebel, Jan-Hendrik;Unoh, Yuto;Miura, Masahiro;Bolm, Carsten. And the article was included in Advanced Synthesis & Catalysis in 2019.Computed Properties of C9H10O3S This article mentions the following:

Unprecedented 1,2-benzothiazine 1-imines I (R¹ = H, OMe, Me; R² = Me, cyclopropyl; R³ = H, Me, Ph; R⁴ = Me, thiophen-2-yl, Ph, etc.; R⁵ = H, C(O)OC₂H₅) have been prepared from sulfondiimines 4-R¹C₆H₄S(R²)(=NH)=NR³ by regioselective rhodium-catalyzed annulation reactions with diazo keto esters R⁴C(O)C(=N₂)R⁵ and α-substituted (pseudo)halo acetophenones R⁶CH₂C(O)C₆H₅ (R⁶ = Cl, tosyloxy, mesyloxy) as coupling partners. A representative product was characterized by single crystal X-ray structure anal., and the applicability of the resulting three-dimensional heterocycles I (R¹ = H, R² = Me, R³ = Ph, R⁴ = 4-bromophenyl, R⁵ = H) to Buchwald-Hartwig-type amination reactions is shown. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Computed Properties of C9H10O3S).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) 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. 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.Computed Properties of C9H10O3S

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

A calibrant-free drift compensation method for gas sensor arrays was written by Maho, Pierre;Herrier, Cyril;Livache, Thierry;Comon, Pierre;Barthelme, Simon. And the article was included in Chemometrics and Intelligent Laboratory Systems in 2022.Related Products of 105-87-3 This article mentions the following:

Gas sensors lack repeatability over time. They are affected by drift, the result of changes at the sensor level and in the environment. A solution is to design software methods that compensate for the drift. Existing methods are often based on calibration samples acquired at the start of each new measurement session. However, finding a good reference compound is a difficult task and generating calibration samples is time-consuming. We propose a model-based correction method which does not require any calibration sample over time, operating ‘blindly’. In this study, we focus on the drift affecting electronic noses. To this end, we built a real data set acquired over 9 mo in real-life conditions. By using the proposed method, we show that the drift is partly compensated, thus increasing the reliability of the electronic nose. Besides, we also show that the algorithm can easily adapt if the target compounds are not all sampled during every session. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Related Products of 105-87-3).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Related Products of 105-87-3

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

Simple and Practical Real-Time Analysis of Solid-Phase Reactions by Thin-Layer Chromatography was written by Wu, Chia-Hui;Chen, Chun C.;Lin, Su-Ching;Wang, Cheng-Chung. And the article was included in Synlett in 2018.HPLC of Formula: 4163-60-4 This article mentions the following:

Solid-phase synthesis is a practical approach for simplifying the time-consuming and routine purification steps in the preparation of numerous naturally occurring mols.; however, studying such reactions is difficult due to the lack of a convenient monitoring method. By using thin-layer chromatog. in conjunction with a photolabile linker on a resin, we developed a convenient and simple method for monitoring solid-phase reactions in real time by thin-layer chromatog. This method provides a user-friendly protocol for examining reaction conditions for solid-state syntheses. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4HPLC of Formula: 4163-60-4).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.HPLC of Formula: 4163-60-4

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

Amination of Diazocarbonyl Compounds: N-H Insertion under Metal-Free Conditions was written by Luo, Xuesong;Chen, Gui;He, Lin;Huang, Xueliang. And the article was included in Journal of Organic Chemistry in 2016.Quality Control of Ethyl 2-(4-fluorophenyl)acetate This article mentions the following:

Transition-metal-free intermol. N-H insertion of α-diazocarbonyl compounds is reported. Among the series of nitrogen sources examined, dibenzenesulfonimide was found to be the choice in terms of the yields and the reaction time. Primary mechanistic experiments suggest that a pathway involving a sequence of protonation and nucleophilic substitution was preferred. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2Quality Control of Ethyl 2-(4-fluorophenyl)acetate).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) 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.Quality Control of Ethyl 2-(4-fluorophenyl)acetate

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

A light-activated nanotherapeutic with broad-spectrum bacterial recognition to eliminate drug-resistant pathogens was written by Wei, Xiaosong;Gao, Yingchao;Hu, Yuqing;Zhang, Yufei;Zhang, Xinge. And the article was included in Journal of Materials Chemistry B: Materials for Biology and Medicine in 2021.Computed Properties of C16H22O11 This article mentions the following:

Obstinate infections caused by drug-resistant bacteria severely threaten human health. And the emergence of multidrug-resistant bacteria increases the morbidity and mortality of patients, thus necessitating the development of innovative or alternative therapeutics. Here, a light-activated nanotherapeutic with broad-spectrum bacterial recognition is established as an antibiotic-free therapeutic agent against pathogens. The nanotherapeutic with external phenylboronic acid-based glycopolymers increases the stability and biocompatibility and shows the ability of bacterial recognition. Once irradiated with near-IR light, this nanotherapeutic with high photothermal conversion efficiency disrupts the cytoplasmic membrane, thus killing bacterial cells. Importantly, it also eliminates the biofilms formed by both drug-resistant Gram-neg. bacteria (Pseudomonas aeruginosa) and Gram-pos. bacteria (Staphylococcus aureus) effectively. Thus, this antibiotic-free nanotherapeutic with hypotoxicity offers a promising approach to fight increasingly serious antimicrobial resistance. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4Computed Properties of C16H22O11).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. 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. Computed Properties of C16H22O11

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

Copper(I/II)-Promoted Diverse Imidazo[1,2-α]pyridine Synthesis on Solid-Phase Bound DNA Oligonucleotides for Encoded Library Design was written by Potowski, Marco;Luettig, Ricarda;Vakalopoulos, Alexandros;Brunschweiger, Andreas. And the article was included in Organic Letters in 2021.Application In Synthesis of Methyl 2-aminonicotinate This article mentions the following:

DNA-encoded libraries designed around heterocyclic scaffolds have proven highly productive in target-based screening. Here, we show the synthesis of imidazopyridines on a controlled pore glass-coupled DNA oligonucleotide for solid phase-initiated encoded library synthesis. The target compounds were synthesized by a variant of the A3 coupling reaction from aminopyridines, alkynes, and aldehydes promoted by copper(I/II) and furnished diverse substituted scaffolds with functionalities for library design. Although proceeding under forcing conditions, it produced minimal DNA damage. In the experiment, the researchers used many compounds, for example, Methyl 2-aminonicotinate (cas: 14667-47-1Application In Synthesis of Methyl 2-aminonicotinate).

Methyl 2-aminonicotinate (cas: 14667-47-1) 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.Application In Synthesis of Methyl 2-aminonicotinate

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

Preparation of 2-(mono-, di-, and trichloromethyl)phenyl isocyanates was written by Klauke, Erich;Oehlmann, Linthard. And the article was included in Synthesis in 1978.SDS of cas: 60221-81-0 This article mentions the following:

The title compounds were prepared by chlorination of o-tolyl isocyanates I (R_n = H, Cl, F, Cl₂, Cl₃, Cl₄, CF₃) under UV irradiation at 100-200°. II (R_n = H, Cl, F, 3,4-Cl₂, 5-CF₃) were prepared by UV chlorination of I with 0.5 mol-equivalent Cl₂ at 110°. Passing Cl₂ through I under UV irradiation 4 h at 120-35° gave III (R_n = H, Cl, 3-F, Cl₂, Cl₃, Cl₄, 5-CF₃), whereas IV (R_n = H, 4-, 5-Cl, 3-F) were prepared by chlorination of I under intensive UV irradiation In the experiment, the researchers used many compounds, for example, 1-Fluoro-3-isocyanato-2-methylbenzene (cas: 60221-81-0SDS of cas: 60221-81-0).

1-Fluoro-3-isocyanato-2-methylbenzene (cas: 60221-81-0) 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. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.SDS of cas: 60221-81-0

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

Intermolecular alkyl/aryl exchange of 2-iminothiazoles with isothiocyanates and isocyanates: scopes and limitations was written by Shin, Dongyun;Lee, Jihoon;Hahn, Hoh-Gyu. And the article was included in Tetrahedron in 2010.Product Details of 2740-88-7 This article mentions the following:

2-Iminothiazole, an isoform of 2-aminothiazole, is a scaffold of synthetic and medicinal significance. An efficient method by which alkyl group attached to the imine nitrogen of 2-alkyliminothiazoles is changed into other alkyl groups by isothiocyanates is reported. All the reactions were carried out in toluene at 105° without any additive. The reaction is a reversible process and the equilibrium is determined by the reactivity of both reactants, in which the more electron-withdrawing alkyl or aryl groups at the 2-imino group or isothiocyanate showed higher reactivities. A synthetic problem in 2-iminothiazole chem., synthesis of amino acid-derived 2-iminothiazole was solved in a very simple manner. Using suitably designed 2-iminothiazole substrate, the electrophilic reactivity of various isothiocyanates could be empirically compared by this exchange reaction. Moreover, successful exchange reaction using isocyanates instead of isothiocyanates broadened the utility of this reaction. In the experiment, the researchers used many compounds, for example, 4-Fluorobenzylisothiocyanate (cas: 2740-88-7Product Details of 2740-88-7).

4-Fluorobenzylisothiocyanate (cas: 2740-88-7) 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.Product Details of 2740-88-7

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

Valorization of perillaldehyde molecule contained in the essential oil of Ammodaucus leucotrichus Coss. from the Saharan zones of Morocco was written by Bouzekri, Omayma;El Gamouz, Sabah;Ghaleb, Adib;Amechrouq, Ali;El Idrissi, Mostafa;Choukrad, M’barek. And the article was included in Journal of Microbiology, Biotechnology and Food Sciences in 2022.Reference of 706-14-9 This article mentions the following:

The aim of this work is to valorise the species Ammodaucus leucotrichus Coss which is known by its abundance in perillaldehyde. The plant material was collected from two regions in Morocco: Errachidia and Smara region, then was hydrodistd. The essential oils (EOs) obtained were firstly characterized by gas chromatog. coupled to mass spectrometry (GC-MS). Secondly the EO with the major component is the perillaldehyde was used as starting material to semi-synthesize three p-menthane monoterpenoids. The semi-synthesized compounds from perillaldehyde were studied for their docking behavior against Lung Cancer with the crystallog. structure of the kinase domain of EGFR protein using surflex-docking. The GC/MS anal. of essential oils, showed a total of 25 components accounts 99.51% for Errachidia′s EO while 28 components account for 99.83% for Smara′s EO. GC/MS anal. showed that perillaldehyde is the major components in the EO of Errachidia with a percentage of 74.71%. For this purpose, Errachidia′s EO was used to semi-synthesize the perilla alc., the perillic acid, and the perillartine. The three compounds were obtained in good yield, their structures were confirmed by GC/MS and IR (IR). The mol. docking study showed a good binding affinity between the perilla alc. (POH) and the lung cancer receptor than perillic acid and perillartine. The species Ammodaucus leucotrichus Coss. could be considered a promising source of p-menthan monoterpenoids, known for their anticancerous properties. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Reference of 706-14-9).

5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Reference of 706-14-9

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