Month: December 2022

The nature of field effects and their fall-off with distance: the acidity of substituted quinuclidinium and bicyclooctylammonium ions was written by Adcock, W.;Anvia, F.;Butt, G.;Cook, A.;Duggan, P.;Grob, C. A.;Marriott, S.;Rowe, J.;Taagepera, M.. And the article was included in Journal of Physical Organic Chemistry in 1991.Application In Synthesis of Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate This article mentions the following:

Gas-phase acidities are reported for a series of substituted quinuclidinium and bicyclo[2.2.2]octylammonium ions. Ab initio calculation are also reported for these equilibrium at the STO-3G and 3-21G (for the quinuclidines) bases and can be used to extend the results. PK_a values obtained for the bicyclooctylammonium ions are compared with previously reported results for the quinuclidinium ions. The results, as a whole, are considered together with similar values obtained for other saturated systems, to look at the varying transmission of field effects with distance. The fall-off observed between the two series in the gas phase is considerably less than expected from simple electrostatics. In contradiction with a recent claim, it is also shown that field effects, as measured by the parameter σ_F, give a good measure of the effect of the substituents in each series compared with a combination of resonance and electronegativity effects. In the experiment, the researchers used many compounds, for example, Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate (cas: 135908-33-7Application In Synthesis of Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate).

Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate (cas: 135908-33-7) 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, including apples, durians, pears, bananas, pineapples, and strawberries. 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.Application In Synthesis of Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate

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

Rapid Assembly of Saturated Nitrogen Heterocycles in One-Pot: Diazo-Heterocycle “Stitching” by N-H Insertion and Cyclization was written by Boddy, Alexander J.;Affron, Dominic P.;Cordier, Christopher J.;Rivers, Emma L.;Spivey, Alan C.;Bull, James A.. And the article was included in Angewandte Chemie, International Edition in 2019.Synthetic Route of C10H11FO2 This article mentions the following:

Methods that provide rapid access to new heterocyclic structures in biol. relevant chem. space provide important opportunities in drug discovery. Here, a strategy is described for the preparation of 2,2-disubstituted azetidines, pyrrolidines, piperidines, and azepanes bearing ester and diverse aryl substituents. A one-pot rhodium catalyzed N-H insertion and cyclization sequence uses diazo compounds to stitch together linear 1,m-haloamines (m = 2-5) to rapidly assemble 4-, 5-, 6-, and 7-membered saturated nitrogen heterocycles in excellent yields. Over fifty examples are demonstrated, including examples with diazo compounds derived from biol. active compounds The products can be functionalized to afford α,α-disubstituted amino acids and applied to fragment synthesis. In the experiment, the researchers used many compounds, for example, Ethyl 2-fluorophenylacetate (cas: 584-74-7Synthetic Route of C10H11FO2).

Ethyl 2-fluorophenylacetate (cas: 584-74-7) 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.Synthetic Route of C10H11FO2

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

Effect of dicarboxylic acid esters on selective transfer under friction was written by Chigarenko, G. G.;Ponomarenko, A. G.;Barchan, G. P.;Belevantseva, Z. P.. And the article was included in Khimiya i Tekhnologiya Topliv i Masel in 1984.Product Details of 1190-39-2 This article mentions the following:

The addition of dialkyl dicarboxylic acid esters to lubricating oils increase the maximum loading stress before the start of rapid wear (P) and decreases both the friction coefficient (f) and wear (w, 5 h at 0.8 m/s sliding rate, steel 45/bronze bearing). Thus, P,f, and w of a Soviet industrial oil were 19 MPa, 0.096, and 0.0234 g, resp., but when the oil contained 30% dinonyl adipate (I) [151-32-6] P,f, and w became 54 MPa, 0.010, and 0.0017 g, resp. Similar, but less pronounced, lubricity improvement was obtained when instead of I lower mol. diesters were added to the oil. A spectroscopic examination of the spent, I-containing, oil identified copper adipate  [50603-05-9]. Thus, the diesters form salt films on the bearing surfaces. In the experiment, the researchers used many compounds, for example, malonic acid dibutyl ester (cas: 1190-39-2Product Details of 1190-39-2).

malonic acid dibutyl ester (cas: 1190-39-2) 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. 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 1190-39-2

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

Production of volatile compounds by wild-type yeasts in a natural olive-derived culture medium was written by Montano, Alfredo;Cortes-Delgado, Amparo;Sanchez, Antonio Higinio;Ruiz-Barba, Jose Luis. And the article was included in Food Microbiology in 2021.COA of Formula: C6H12O2 This article mentions the following:

The production of volatile compounds in naturally fermented green table olives from Manzanilla cultivar was investigated. A total of 62 volatile compounds were detected after 24 wk of fermentation To clarify the contribution of yeasts to the formation of these compounds, such microorganisms were isolated from the corresponding fermenting brines. Five major yeast strains were identified: Nakazawaea molendinolei NC168.1, Zygotorulaspora mrakii NC168.2, Pichia manshurica NC168.3, Candida adriatica NC168.4, and Candida boidinii NC168.5. When these yeasts were grown as pure cultures in an olive-derived culture medium, for 7 days at 25°C, the number of volatiles produced ranged from 22 (P. manshurica NC168.3) to 60 (C. adriatica NC168.4). Contribution of each yeast strain to the qual. volatile profile of fermenting brines ranged from 19% (P. manshurica NC168.3) to 48% (Z. mrakii NC168.2 and C. adriatica NC168.4). It was concluded that C. adriatica NC168.4 presented the best aromatic profile, being a solid candidate to be part of a novel starter culture to enhance the organoleptic properties of naturally fermented green table olives. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5COA of Formula: C6H12O2).

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. 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. COA of Formula: C6H12O2

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

Bifunctional acyclic nucleoside phosphonates: 2. Symmetrical 2-{[bis(phosphono)methoxy]methyl}ethyl derivatives of purines and pyrimidines was written by Vrbkova, Silvie;Dracinsky, Martin;Holy, Antonin. And the article was included in Collection of Czechoslovak Chemical Communications in 2007.Electric Literature of C9H16O4 This article mentions the following:

Novel bisphosphonate alkylating agent, tetraisopropyl {2-[(mesyloxy)methyl]propane-1,3-diyl}bis(oxymethylene)bisphosphonate (I), was synthesized from di-Et 2,2-bis-(hydroxymethyl)malonate. Decarbethoxylation of the di-Et 2,2-dimethyl-1,3-dioxane-5,5-dicarboxylate was followed by chloromethylation of 2-[(benzyloxy)methyl]propane-1,3-diol and Arbuzov reaction with triisopropyl phosphite. Bisphosphonate building block I was used in the alkylation of various nucleobases (2-amino-6-chloropurine, adenine, 2-amino-6-(cyclopropyl)aminopurine, cytosine, uracil and 4-methoxy-5-methylpyrimidin-2(1H)-one). N⁹-Substituted purines and N¹-substituted pyrimidines were converted to appropriate free bisphosphonic acids. No antiviral or cytostatic activity was detected. In the experiment, the researchers used many compounds, for example, Ethyl 2,2-dimethyl-1,3-dioxane-5-carboxylate (cas: 82962-54-7Electric Literature of C9H16O4).

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, including apples, durians, pears, bananas, pineapples, and strawberries. 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.Electric Literature of C9H16O4

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

Novel intramolecular two-substituent migration accompanying indenoquinolone formation was written by Staskun, B.. And the article was included in Tetrahedron in 1972.Quality Control of Ethyl 3-oxo-3-(m-tolyl)propanoate This article mentions the following:

Cyclization of 2,2,4′-trichloro-2′,5′-dimethyl-2-benzoylacetanilide and 2,2,2′,4′-tetrachloro-3′,5′-dimethyl-2-benzoylacetanilide by concentrated H2SO4 gave 1,5-dichloro-4,6-dimethylindeno[1,2,3-de]quinolin-2(3H)-one and 1,4,6-trichloro-5-methyl-7H-dibenz[f,ij]-isoquinolin-2(3H)-one (II), resp. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9Quality Control of Ethyl 3-oxo-3-(m-tolyl)propanoate).

Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9) 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. Quality Control of Ethyl 3-oxo-3-(m-tolyl)propanoate

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

Aromatic and sensory characterization of Maturana Blanca wines made with different technologies was written by Naranjo, Ana;Martinez-Lapuente, Leticia;Ayestaran, Belen;Guadalupe, Zenaida;Perez, Irene;Canals, Clara;Adell, Elena. And the article was included in Beverages in 2021.Reference of 706-14-9 This article mentions the following:

Vitis vinifera L. cv. Maturana Blanca is an autochthonous minor variety recently recovered in the Rioja Qualified Denomination of Origin (D.O.Ca Rioja, Spain) for the production of monovarietal white wines with singular and differentiated characteristics. In this paper, Maturana Blanca wines made with different technologies were analyzed by sensory anal. and aromatic profile by gas chromatog.-mass detector. Maturana Blanca wines were characterized by low pH, high acidity, and yellowish tonalities. The compounds that most influenced the aroma of Maturana Blanca wines were those related to fruity (acetates and Et esters), floral aromas (2-phenylethanol), and spicy notes (γ-decalactone). These wines were mainly characterized by volatile compounds of fruity aromas of banana and apple. The use of pre-fermentative maceration increased the concentration of Et esters and acetates and produced wines with higher odor activity values, indicating a greater aromatic intensity. The aromatic profile of Maturana Blanca wines fermented in oak barrels showed a greater complexity as they were also characterized by the presence of important amounts of furfural, whiskey lactone, and eugenol. The sensory anal. confirmed the results obtained in the aromatic anal., and described the wines as fresh and balanced in mouth, with notes of acidity and medium to high persistence. These results will contribute to a better knowledge of this white variety. 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. 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. Reference of 706-14-9

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

N-Substituted pyrrolopyrimidines and purines as p90 ribosomal S6 protein kinase-2 (RSK2) inhibitors was written by Casalvieri, Kimberly A.;Matheson, Christopher J.;Warfield, Becka M.;Backos, Donald S.;Reigan, Philip. And the article was included in Bioorganic & Medicinal Chemistry in 2021.Reference of 20637-09-6 This article mentions the following:

In the current study, a series of pyrrolopyrimidines and purines were developed to replace the pteridinone ring of BI-D1870, with a range of N-substituents that extended to the substrate binding site to probe complementary interactions, while retaining the 2,6-difluorophenol-4-amino group to maintain interactions with the hinge domain and the DFG motif. Several compounds inhibited cellular RSK2 activity and compounds that uncoupled cellular RSK2 inhibition from potent cytotoxicity in the MOLM-13 AML cell line were identified . These N-substituted probes revealed an opportunity to further examine substituents that extend from the ATP- to the substrate-binding site may confer improved RSK potency and selectivity. In the experiment, the researchers used many compounds, for example, Methyl 4-(4-aminophenyl)butanoate (cas: 20637-09-6Reference of 20637-09-6).

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, including apples, durians, pears, bananas, pineapples, and strawberries. 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.Reference of 20637-09-6

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

Efficient synthesis of NIR emitting bis[2-(2′-hydroxylphenyl)benzoxazole] derivative and its potential for imaging applications was written by Wang, Junfeng;Baumann, Hannah;Bi, Xiaoman;Shriver, Leah P.;Zhang, Zhaoda;Pang, Yi. And the article was included in Bioorganic Chemistry in 2020.Name: Methyl 5-methoxy-2-nitrobenzoate This article mentions the following:

Unassymetric bis[2-(2′-hydroxyphenylbenzoxole)] bis(HBO) derivatives with a DPA functionality for zinc binding have been developed with an efficient synthetic route, using the retrosynthetic anal. Comparison of bis(HBO) derivatives with different substitution patterns allows us to verify and optimize their unique fluorescence properties. Upon binding zinc cation, bis(HBO) derivatives give a large fluorescence turn-on in both visible (λ_em ≈ 536 nm) and near-IR (NIR) window (λ_em ≈ 746 nm). The probes are readily excitable by a 488 nm laser, making this series of compounds a suitable imaging tool for in vitro and in vivo study on a confocal microscope. The application of zinc binding-induced fluorescence turn-on is successfully demonstrated in cellular environments and thrombus imaging. In the experiment, the researchers used many compounds, for example, Methyl 5-methoxy-2-nitrobenzoate (cas: 2327-45-9Name: Methyl 5-methoxy-2-nitrobenzoate).

Methyl 5-methoxy-2-nitrobenzoate (cas: 2327-45-9) 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. 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. Name: Methyl 5-methoxy-2-nitrobenzoate

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

Sulfone-stabilized carbanions for the reversible covalent capture of a posttranslationally-generated cysteine oxoform found in protein tyrosine phosphatase 1B (PTP1B) was written by Parsons, Zachary D.;Ruddraraju, Kasi Viswanatharaju;Santo, Nicholas;Gates, Kent S.. And the article was included in Bioorganic & Medicinal Chemistry in 2016.Synthetic Route of C4H8O4S This article mentions the following:

Redox regulation of protein tyrosine phosphatase 1B (PTP1B) involves oxidative conversion of the active site cysteine thiolate into an electrophilic sulfenyl amide residue. Reduction of the sulfenyl amide by biol. thiols regenerates the native cysteine residue. Here the authors explored fundamental chem. reactions that may enable covalent capture of the sulfenyl amide residue in oxidized PTP1B. Various sulfone-containing carbon acids were found to react readily with a model peptide sulfenyl amide via attack of the sulfonyl carbanion on the electrophilic sulfur center in the sulfenyl amide. Both the products and the rates of these reactions were characterized. The results suggest that capture of a peptide sulfenyl amide residue by sulfone-stabilized carbanions can slow, but not completely prevent, thiol-mediated generation of the corresponding cysteine-containing peptide. Sulfone-containing carbon acids may be useful components in the construction of agents that knock down PTP1B activity in cells via transient covalent capture of the sulfenyl amide oxoform generated during insulin signaling processes. In the experiment, the researchers used many compounds, for example, Methyl 2-(methylsulfonyl)acetate (cas: 62020-09-1Synthetic Route of C4H8O4S).

Methyl 2-(methylsulfonyl)acetate (cas: 62020-09-1) 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. Polyesters are important plastics, with monomers linked by ester moieties. 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.Synthetic Route of C4H8O4S

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