Tag: 100-200

Copper-catalyzed, silver-mediated formal [3+2] cycloaddition of simple alkynes with β-ketoesters through propargylic C(sp³)-H functionalization was written by Liu, Zhen-Ting;Hu, Xiang-Ping. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2018.Recommanded Product: 13669-10-8 This article mentions the following:

A copper-catalyzed propargylic [3+2] cycloaddition of simple alkynes with β-ketoesters through the propargylic C(sp³)-H functionalization has been realized. Under catalysis by CuI in combination with 1,10-phenanthroline hydrate as the ligand and Ag₂CO₃ as a bifunctional reagent (oxidant and base), the reaction proceeds smoothly with a broad substrate scope, thus providing a variety of highly functionalized furans I (R¹ = C₆H₅, 2-ClC₆H₄, 4-FC₆H₄, etc.; R² = Me, Et) in moderate to high yields. This represents the first successful example of the catalytic propargylic cycloaddition of simple alkynes with bisnucleophiles based on the propargylic C(sp³)-H functionalization strategy. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Recommanded Product: 13669-10-8).

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. 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.Recommanded Product: 13669-10-8

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

Mechanochemical synthesis of coumarins via Pechmann condensation under solvent-free conditions: an easy access to coumarins and annulated pyrano[2,3-f] and [3,2-f]indoles was written by Sharapov, Ainur D.;Fatykhov, Ramil F.;Khalymbadzha, Igor A.;Sharutin, Vladimir V.;Santra, Sougata;Zyryanov, Grigory V.;Chupakhin, Oleg N.;Ranu, Brindaban C.. And the article was included in Green Chemistry in 2022.Recommanded Product: Ethyl 3-oxo-3-(thiophen-2-yl)propanoate This article mentions the following:

A green protocol has been developed for the synthesis of simple coumarins, e.g., I linear pyrano[2,3-f] and [3,2-f]indoles by the reaction of phenol derivatives ROH (R = 3,5-(OH)₂C₆H₃, 4-Br-3-OHC₆H₃, 3-OMeC₆H₄) with β-ketoesters, e.g., cyclohexanecarboxylic acid, 2-oxo-, Et ester under ball milling at ambient temperature in the presence of methanesulfonic acid as a mild acid catalyst. The significant advantages of this procedure are high yields, scalability, no use of hazardous acids or solvents, shorter reaction time, ambient temperature, low cost, and straightforward purification without column chromatog. This procedure is associated with high EcoScale metrics and a low E-factor. In contrast to traditional Pechmann condensation procedures, the mechanochem. protocol leads to the synthesis of pyranoindoles with excellent regioselectivity and high yields. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8Recommanded Product: Ethyl 3-oxo-3-(thiophen-2-yl)propanoate).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) 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. 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.Recommanded Product: Ethyl 3-oxo-3-(thiophen-2-yl)propanoate

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

Discovery and SAR of biaryl piperidine MCH1 receptor antagonists through solid-phase encoded combinatorial synthesis was written by Guo, Tao;Shao, Yuefei;Qian, Gang;Rokosz, Laura L.;Stauffer, Tara M.;Hunter, Rachael C.;Babu, Suresh D.;Gu, Huizhong;Hobbs, Doug W.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2005.Application In Synthesis of 3-Cyanophenylisocyanate This article mentions the following:

An encoded combinatorial library based on aryl- and biarylpiperidine scaffolds was designed and synthesized. Screening of this library resulted in the discovery of high-nanomolar biarylpiperidine-based MCH1 receptor antagonists. Follow-up optimization using a parallel synthesis provided potent, single digit nanomolar antagonists. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Application In Synthesis of 3-Cyanophenylisocyanate).

3-Cyanophenylisocyanate (cas: 16413-26-6) 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. 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.Application In Synthesis of 3-Cyanophenylisocyanate

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

Synthesis, antioxidant, antimicrobial, and molecular docking studies of some N-cinnamyl phenylacetamide and N-(3,7-dimethylocta-2,6-dien-1-yl)phenylacetamide derivatives was written by El-Zemity, Saad R.;Badawy, Mohamed E. I.;Esmaiel, Kareem E. E.;Badr, Mai M.. And the article was included in Journal of Molecular Structure in 2022.Category: esters-buliding-blocks This article mentions the following:

A series of N-cinnamyl phenylacetamides I [R = 2-OH, 4-Cl, 4-SO₂NH₂, etc.] and N-(3,7-dimethylocta-2,6-dien-1-yl)phenylacetamide derivatives II [R¹ = 3,5-di-MeC₆H₃, 2,6-di-MeC₆H₃, 2-Me,6-EtC₆H₃, 1-naphthyl] with different active moieties have been designed, synthesized and tested for antioxidant and antimicrobial activity. The synthetic protocol was based on the formation of Schiff bases followed by chloroacetylation of imines. The chem. structures of the compounds were recognized by 1H-NMR, ¹³C-NMR and MS spectral techniques. Compounds I and II exhibited superior antioxidant activity (IC₅₀ = 9.92-19.06μM) compared to α-tocopherol (IC₅₀ = 26μM). Derivatives II showed excellent antibacterial activities against all the tested strains with MIC values in the range of 10-230μM comparable to those of amoxicillin (80-275μM) against Bacillus cereus (G+), Staphylococcus aureus (G+), Escherichia coli (G-), and Pseudomonas aeruginosa (G-). Besides, the compounds also exhibited candidacidal activity against Candida albicans and Compound II [R¹ = 2-Me,6-EtC₆H₃] was the most active compound (EC₅₀ = 423.62μM). Mol. docking, drug-likeness data, physicochem. properties, and ADMET (absorption, distribution, metabolism, excretion, and toxicity) parameters of the compounds were in silico computed. The derivatives presented good properties for Lipinski’s parameters, poor solubility in the aqueous medium (Log S of -4.06 to -5.97), and PSA <140, indicating good permeability in biol. membranes and gastrointestinal absorption. Mol. docking to the active sites of NADPH oxidase (PDB: 1W6X), penicillin-binding protein 2a (PDB: 1VQQ), and lanosterol 14-alpha demethylase (PDB 1EA1) revealed that most compounds displayed minimal binding energy and have a good affinity toward the active pocket of each enzyme. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Category: esters-buliding-blocks).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) 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.Category: esters-buliding-blocks

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

A DNA-derived phage nose using machine learning and artificial neural processing for diagnosing lung cancer was written by Lee, Jong-Min;Choi, Eun Jeong;Chung, Jae Heun;Lee, Ki-wook;Lee, Yujin;Kim, Ye-Ji;Kim, Won-Geun;Yoon, Seong Hoon;Seol, Hee Yun;Devaraj, Vasanthan;Ha, Jong Seong;Lee, Donghan;Kwon, Sang-Mo;Kim, Yun Seong;Chang, Chulhun L.;Oh, Jin-Woo. And the article was included in Biosensors & Bioelectronics in 2021.Application of 695-06-7 This article mentions the following:

There is a growing interest in electronic nose-based diagnostic systems that are fast and portable. However, existing technologies are suitable only for operation in the laboratory, making them difficult to apply in a rapid, non-face-to-face, and field-suitable manner. Here, we demonstrate a DNA-derived phage nose (D²pNose) as a portable respiratory disease diagnosis system requiring no pretreatment. D2pNose was produced based on phage color films implanted with DNA sequences from mammalian olfactory receptor cells, and as a result, it possesses the comprehensive reactivity of these cells. The manipulated surface chem. of the genetically engineered phages was verified through a correlation anal. between the calculated and the exptl. measured reactivity. Breaths from 31 healthy subjects and 31 lung cancer patients were collected and exposed to D²pNose without pretreatment. With the help of deep learning and neural pattern separation, D2pNose has achieved a diagnostic success rate of over 75% and a classification success rate of over 86% for lung cancer based on raw human breath. Based on these results, D2pNose can be expected to be directly applicable to other respiratory diseases. In the experiment, the researchers used many compounds, for example, 5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7Application of 695-06-7).

5-Ethyldihydrofuran-2(3H)-one (cas: 695-06-7) 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. Application of 695-06-7

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

Mass spectrums and features of fragmentation of some 2-substituted thiophenes was written by Zhumagaliev, S. Zh.;Saginayev, A T.;Abilkhairov, A. I.;Serikov, T. P.. And the article was included in Izvestiya Natsional’noi Akademii Nauk Respubliki Kazakhstan, Seriya Khimii i Tekhnologii in 2015.Category: esters-buliding-blocks This article mentions the following:

We studied the mass spectra of some 2-substituted thiophenes with various substituents: R (I-XIX), where R is the I: -CH2OH; II: -Cl; III: -CH2C≡N; IV: -C (O) NH2; V: -C (O) OH; VI: -NH-C (O) CH3; VII: -C (O) NH -NH2; VIII: -CH2C (O) OH; IX: -C (O) OCH3; X: -CH = CH-C (O) OH; XI: -CH2C (O) OCH3; XII: -C (NH2) C (O) OH; XIII: -CH = N-NH-C (O) NH2; XIV: -CH2C (O) OC2H5; XV: -CH2C (O) OCH (CH3)2; XVI: -CH = N-NH-C (S) NH2; XVII: -CH2C (O) OC4H7; XVIII: -CH2C (O) OC4H9; XIX: -CH2-NH-C (O) (CH2) 2C (O) OH. The peculiarities of the fragmentation of the mol. ion (MI), depending on the nature of the substituent. The basic characteristic directions of the decay MI studied 2-substituted thiophene (I-XIX). Based on the anal. of mass spectra of nineteen 2-substituted thiophene it was possible to derive a number of rules of thumb that allow to correlate the structure of the compound to its fragmentation. Sulfonium intensity peak (m/z of 97), the maximum in the case where the thiophene ring linked ester or acidic moiety by methylene substituent (VIII, XI, XIV, XV, XVII, XVIII). Maximum peak oxonium ion with m/z 111 in the mass spectra (IV, V, VII, IX) is due to rupture of β-connection when a thiophene ring substituent is bonded through karonilom. In tension peaks (m/z of 85) are observed in the case where there are atoms of hydrogen β and γ-positions of substituents with respect to sulfurthiophenyl (I, 81%; XII, 42%; XIX 21%); this peak is completely absent in the other 2-substituted thiophene (II-XI, XIII-XVIII). Ion (with m/z 85) is relatively stable (proton embedded) thiophenecation ([C4H4 SH] +), which is involved in the formation of the double migration of hydrogen substituents. In cases where when the 2-substituted thiophene substituents are electron-acceptor (-Cl, COOH, C = O) in the mass spectra of ions are significant peaks thiophenyl (cm/z 83) (II, IV, V, VII, IX). Finally, the fact that the mass spectra contained thioformilnyion peak of m/z 45, indicates that at least one of the atoms C2 and C5 thiophenyl bound to a hydrogen atom. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Category: esters-buliding-blocks).

Methyl 2-thienylacetate (cas: 19432-68-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Category: esters-buliding-blocks

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

Tailored Polymers To Probe the Nature of the Bioelectrochemical Interface was written by Ryder, K. S.;Morris, D. G.;Cooper, J. M.. And the article was included in Langmuir in 1996.Electric Literature of C8H11NO2 This article mentions the following:

A range of pyrrole monomers with carboxyl derivatives both at the N-, and β-ring positions were synthesized and, subsequently, were polymerized electrochem. at carbon, gold, and platinum electrodes. The resulting polymers, which were characterized with both electrochem. and spectroscopic methods, were then used to investigate the importance of polymer oxidation potential, polymer functionality, and backbone conductivity on the redox interaction with the small redox protein, cytochrome c. By choosing monomer substituents with varying side-chain length and steric bulk, it was possible to probe the nature of the protein-polymer interaction and to show how the heterogeneous rate constants, k_s, as an estimate for electron exchange between the electrode functionalized poly(pyrroles) and the protein, varied as a consequence of the structure of the matrix. The method provides a novel route for the modification of a wide range of conducting surfaces for the study of biol. interfacial reactions, particularly those involving biomol. recognition. In the experiment, the researchers used many compounds, for example, Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7Electric Literature of C8H11NO2).

Ethyl 4-methyl-1H-pyrrole-3-carboxylate (cas: 2199-49-7) 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.Electric Literature of C8H11NO2

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

Characterization of the binding site of the histamine H₃ Receptor. 2. Synthesis, in vitro pharmacology, and QSAR of a series of monosubstituted benzyl analogues of thioperamide was written by Windhorst, Albert D.;Timmerman, Henk;Worthington, Edward A.;Bijloo, Greetje J.;Nederkoorn, Paul H. J.;Menge, Wiro M. P. B.;Leurs, Rob;Herscheid, Jacobus D. M.. And the article was included in Journal of Medicinal Chemistry in 2000.Safety of 4-Fluorobenzylisothiocyanate This article mentions the following:

The thioperamide analogs I (R = Cl, Br, F, H, Me₃C) were prepared and evaluated for their histamine H₃ receptor activity on the guinea pig jejunum. Incorporation of Cl, Br, and I at the ortho position of the benzyl moiety led to an increase of the pA₂ value, whereas the same substituents at the para position led to a decrease. However, a fluorine substituent gave a strong decrease in pA₂, regardless of the position. Mol. modeling revealed a QSAR with a correlation between the pA₂ and the dihedral angle between the thiourea and the benzyl moiety and the calculated electron d. on the substituted carbon atom. To verify whether this QSAR model had a predictive value, the ortho tert-Bu and Me analogs were synthesized and evaluated. Indeed it was shown that the predicted pA₂ values of these two compounds were in accordance with the measured pA₂ values. In the experiment, the researchers used many compounds, for example, 4-Fluorobenzylisothiocyanate (cas: 2740-88-7Safety of 4-Fluorobenzylisothiocyanate).

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

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

Bronsted base-catalyzed α-oxygenation of carbonyl compounds utilizing the [1,2]-phospha-Brook rearrangement was written by Kondoh, Azusa;Terada, Masahiro. And the article was included in Organic Chemistry Frontiers in 2015.COA of Formula: C11H14O3 This article mentions the following:

A novel α-oxygenation reaction of carbonyl compounds was developed by utilizing the [1,2]-phospha-Brook rearrangement under Bronsted base catalysis. The reaction proceeds via the oxidation of enolates followed by the [1,2]-phospha-Brook rearrangement to afford α-oxygenated ester derivatives from easily accessible substrates having high functional group tolerance. In addition, the atom-economical tandem reaction of α-diethylphosphono ester derivatives with oxaziridines, which involves a carbon-carbon forming process in addition to α-oxygenation, was established under the low temperature conditions. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0COA of Formula: C11H14O3).

Ethyl 2-hydroxy-3-phenylpropanoate (cas: 15399-05-0) 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. 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.COA of Formula: C11H14O3

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

Pyrolysis of municipal waste: Effect of waste type and co-pyrolysis on the formation of products and coke over zeolite catalyst was written by Ahmadi, Ayla;Gholizadeh, Mortaza;Fallahi-Samberan, Mehrab;Amirkhani, Leila. And the article was included in Chemical Engineering Research and Design in 2022.Category: esters-buliding-blocks This article mentions the following:

Thermal pyrolysis of different types of wastes including LDPE, carton, tire and poplar wood was conducted to investigate the effect of feedstock on the properties of products. The co-pyrolysis of single feedstocks was also the next trial. Zeolite (A4) was the catalyst. The reason for this was to study the influence of the catalyst on the products and also the effect of feedstock type on the structure of coke. The results showed that the type of feedstock could change the quantity and quality of the products significantly. Considering the average of the properties of the products obtained from the single feedstocks pyrolysis, the specification of the products obtained from the pyrolysis of mixture feedstock showed nonlinear changes. This indicated the cross-interaction of volatiles and non-volatiles through the secondary reactions during the co-pyrolysis process. Depending on the feedstock type, zeolite (A4) had different effects on the pyrolysis process. Zeolite (A4) increased the rate of cracking of large species and also their polymerization, but differently for different feedstocks. The nonlinearity of the change of the properties during the catalytic co-pyrolysis was observed No coke/little amount formed on the surface of the catalyst after the pyrolysis of all types of the feedstocks used. However, the slight deactivation of the catalyst due to the change of the catalyst structure was seen. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Category: esters-buliding-blocks).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) 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.Category: esters-buliding-blocks

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