Category: 5003-48-5

Solubility Determination and Model Correlation of Benorilate between T = 278.18 and 318.15 K was written by Wu, Yufang;Ren, Maolin;Zhang, Xiaolu. And the article was included in Journal of Chemical & Engineering Data in 2020.Related Products of 5003-48-5 The following contents are mentioned in the article:

The objective is to study the solubility of benorilate in 12 pure solvents at from 278.15 to 318.15 K by the isothermal saturation method at atm. pressure. The solubility increased monotonically with the rising temperature Moreover, at all evaluated temperatures, the largest solubility value was obtained in N-methyl-2-pyrrolidone, followed by N,N-dimethylformamide > 2-butanone > 1,4-dioxane > acetonitrile > Et acetate > 1-butanol > ethanol > methanol > n-propanol > isopropanol > toluene. The solubility values in the reaction solvent (toluene) varied from 1.3 x 10^-5 to 1.08 x 10^-4 in mole fraction between T = 278.15 and 318.15 K, an increase of 8.31-fold. At all evaluated temperatures, the values in ethanol increased from 1.58 x 10^-4 to 9.07 x 10^-4 in mole fraction, an increase of 5.74-fold. Hence, the precipitation and the crystallization purification of benorilate could be effectively controlled by changing the temperature The obtained solubility data were correlated with the modified Apelblat equation and λh equation. The results of relative average deviations indicated that both the λh equation and the modified Apelblat equation are capable of describing the solubility of benorilate in selected pure solvents. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Related Products of 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) 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. 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.Related Products of 5003-48-5

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

Magnetic graphene based dispersive micro-solid-phase extraction coupled with liquid chromatography-tandem quadrupole mass spectrometry for analysis of nine non-steroidal anti-inflammatory drugs in livestock and poultry meat was written by Dong, Chanchan;Hu, Yanyun;Lu, Yaning;Song, Wei;Han, Fang;Zheng, Ping;Deng, Ning. And the article was included in Sepu in 2016.Product Details of 5003-48-5 The following contents are mentioned in the article:

A novel anal. method was developed for the determination of nine non-steroidal anti-inflammatory drugs (NSAIDs) in meat samples by magnetic graphene nanocomposite (Fe₃O₄-G) based on dispersive micro-solid-phase extraction (μ-SPE) coupled with liquid chromatog.-mass spectrometry detection. Samples were homogenized and extracted with acidified acetonitrile. After defatting with the high speed frozen centrifugation, the sample solutions were defatted with n-hexane followed by μ-SPE. Some important parameters influencing the extraction efficiency including the extraction time, the pH value of sample solution and the elution conditions were optimized. The limits of detection (LODs, S/N = 3) of the nine NSAIDs ranged from 0.2 to 8.2 μg/kg, and the limits of quantification (LOQs, S/N = 10) ranged from 0.5 to 25.4 μg/kg. The average recoveries were 83.3%-104.5% with the relative standard deviations between 1.2% and 6.8% obtained from samples spiked at LOQ, 2LOQ and 10LOQ levels. Compared with Sep-Pak Vac NH₂ and Oasis HLB cartridges, Fe₃O₄-G had excellent purification effect, high loading amounts and good reusability. The results demonstrate that the method provide a novel pretreatment technique for the determination of NSAID residues in meat samples. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Product Details of 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) 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, including apples, durians, pears, bananas, pineapples, and strawberries. 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. Product Details of 5003-48-5

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

Analysis of Physicochemical Properties for Drugs of Natural Origin was written by Camp, David;Garavelas, Agatha;Campitelli, Marc. And the article was included in Journal of Natural Products in 2015.Category: esters-buliding-blocks The following contents are mentioned in the article:

The impact of time, therapy area, and route of administration on 13 physicochem. properties calculated for 664 drugs developed from a natural prototype was investigated. The mean values for the majority of properties sampled over five periods from pre-1900 to 2013 were found to change in a statistically significant manner. In contrast, lipophilicity and aromatic ring count remained relatively constant, suggesting that these parameters are the most important for successful prosecution of a natural product drug discovery program if the route of administration is not focused exclusively on oral availability. An examination by therapy area revealed that anti-infective agents had the most differences in physicochem. property profiles compared with other areas, particularly with respect to lipophilicity. However, when this group was removed, the variation between the mean values for lipophilicity and aromatic ring count across the remaining therapy areas was again found not to change in a meaningful manner, further highlighting the importance of these two parameters. The vast majority of drugs with a natural progenitor were formulated for either oral and/or injectable administration. Injectables were, on average, larger and more polar than drugs developed for oral, topical, and inhalation routes. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Category: esters-buliding-blocks).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) 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.Category: esters-buliding-blocks

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

Magnetic graphene based dispersive micro-solid-phase extraction coupled with liquid chromatography-tandem quadrupole mass spectrometry for analysis of nine non-steroidal anti-inflammatory drugs in livestock and poultry meat was written by Dong, Chanchan;Hu, Yanyun;Lu, Yaning;Song, Wei;Han, Fang;Zheng, Ping;Deng, Ning. And the article was included in Sepu in 2016.Product Details of 5003-48-5 The following contents are mentioned in the article:

A novel anal. method was developed for the determination of nine non-steroidal anti-inflammatory drugs (NSAIDs) in meat samples by magnetic graphene nanocomposite (Fe₃O₄-G) based on dispersive micro-solid-phase extraction (μ-SPE) coupled with liquid chromatog.-mass spectrometry detection. Samples were homogenized and extracted with acidified acetonitrile. After defatting with the high speed frozen centrifugation, the sample solutions were defatted with n-hexane followed by μ-SPE. Some important parameters influencing the extraction efficiency including the extraction time, the pH value of sample solution and the elution conditions were optimized. The limits of detection (LODs, S/N = 3) of the nine NSAIDs ranged from 0.2 to 8.2 μg/kg, and the limits of quantification (LOQs, S/N = 10) ranged from 0.5 to 25.4 μg/kg. The average recoveries were 83.3%-104.5% with the relative standard deviations between 1.2% and 6.8% obtained from samples spiked at LOQ, 2LOQ and 10LOQ levels. Compared with Sep-Pak Vac NH₂ and Oasis HLB cartridges, Fe₃O₄-G had excellent purification effect, high loading amounts and good reusability. The results demonstrate that the method provide a novel pretreatment technique for the determination of NSAID residues in meat samples. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Product Details of 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) 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, including apples, durians, pears, bananas, pineapples, and strawberries. 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. Product Details of 5003-48-5

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

Minimal metallo-nanozymes constructed through amino acid coordinated self-assembly for hydrolase-like catalysis was written by Han, Jingjing;Zou, Qianli;Su, Weiwei;Yan, Xuehai. And the article was included in Chemical Engineering Journal (Amsterdam, Netherlands) in 2020.SDS of cas: 5003-48-5 The following contents are mentioned in the article:

Bioinspired nanozymes are promising in mimicking natural processes and developing function-enhanced architectures. However, constructing artificial enzyme systems with catalytic efficiencies rivaling that of natural enzymes in a minimal principle is challenging. Herein, we report the construction of minimal metallo-nanozymes through amino acid coordinated self-assembly by using amino acid derivatives and zinc (II) ions as the building blocks, reminiscent of the components of the catalytic architectures in natural hydrolases. The obtained metallo-nanozymes possess high and robust activity comparable to that of natural lipase in catalytically hydrolyzing Ph acetate. In addition, catalytic performance of the metallo-nanozymes can be facilely optimized by changing the ratio between the building blocks and the introduction of addnl. biomols. The metallo-nanozymes also show catalytic activity in producing acetylsalicylic acid through the hydrolyzation of a prodrug, benorilate. This work highlights the minimal principle and excellent catalytic performance of stable metallo-nanozymes, opening up immense opportunities in the development of highly efficient nanozymes and catalytic prodrug conversion. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5SDS of cas: 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) 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. 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.SDS of cas: 5003-48-5

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

Quantitative structure vasodilatory activity relationship – synthesis and “in silico” and “in vitro” evaluation of resveratrol-coumarin hybrids was written by Vilar, Santiago;Quezada, Elias;Alcaide, Carlos;Orallo, Francisco;Santana, Lourdes;Uriarte, Eugenio. And the article was included in QSAR & Combinatorial Science in 2007.Application In Synthesis of 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:

Three theor. models have been developed for the prediction of vasodilatory activity through a series of 2-D mol. descriptors. A database of 501 compounds was selected from the literature and, of these compounds, 86 have vasodilatory activity. The QSAR models are capable of differentiating between active and inactive compounds with a level of classification greater than 80%. The models were used to predict the activity of a series of coumarins derived from resveratrol (a natural compound that is present in wine and has good vasodilatory activity) and led to the synthesis of three selected mols. The synthesis of the resveratrol-coumarin hybrids was efficiently achieved through a straight-forward and direct route, and their vasodilatory activities were determined exptl. in rat aorta rings that were pretreated with noradrenaline. The theor. results (“in silico” evaluation) show very good agreement with the exptl. data (“in vitro” evaluation), which provide evidence of the reliability of the theor. calculations and show their applicability in the rational design of new compounds The compound predicted by the three models to be active (compound 6) was confirmed to be the more active than trans-resveratrol. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Application In Synthesis of 4-Acetamidophenyl 2-acetoxybenzoate).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) 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. 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 In Synthesis of 4-Acetamidophenyl 2-acetoxybenzoate

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

Toxicological Screening with Formula-Based Metabolite Identification by Liquid Chromatography/Time-of-Flight Mass Spectrometry was written by Pelander, Anna;Ojanperae, Ilkka;Laks, Suvi;Rasanen, Ilpo;Vuori, Erkki. And the article was included in Analytical Chemistry in 2003.Quality Control of 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:

An anal. procedure was evaluated for the comprehensive toxicol. screening of drugs, metabolites, and pesticides in 1-mL urine samples by TurboIon spray liquid chromatog./time-of-flight mass spectrometry (LC/TOFMS) in the pos. ionization mode and continuous mass measurement. The substance database consisted of exact monoisotopic masses for 637 compounds, of which an LC retention time was available for 392. A macroprogram was refined for extracting the data into a legible report, utilizing metabolic patterns and preset identification criteria. These criteria included ±30 ppm mass tolerance, a ±0.2-min window for absolute retention time, if available, and a min. area count of 500. The limit of detection, determined for 90 compounds, was <0.1 mg/L for 73% of the compounds studied and >1.0 mg/L for 6% of the compounds For method comparisons, 50 successive autopsy urine samples were analyzed by this method, and the results confirmed by gas chromatog./mass spectrometry (GC/MS). Findings for parent drugs were consistent with both methods; in addition, LC/TOFMS regularly revealed apparently correct findings for metabolites not shown by GC/MS. Mean and median mass accuracy by LC/TOFMS was 7.6 and 5.4 ppm, resp. The procedure proved well-suited for tentative identification without reference substances. The few false positives emphasized the fact that all three parameters, exact mass, retention time, and metabolite pattern, are required for unequivocal identification. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Quality Control of 4-Acetamidophenyl 2-acetoxybenzoate).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) 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. Quality Control of 4-Acetamidophenyl 2-acetoxybenzoate

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

Evaluation of glycolamide esters and various other esters of aspirin as true aspirin prodrugs was written by Moerk Nielsen, Niels;Bundgaard, Hans. And the article was included in Journal of Medicinal Chemistry in 1989.COA of Formula: C17H15NO5 The following contents are mentioned in the article:

A series of glycolamide, glycolate, (acyloxy)methyl, alkyl, and aryl esters of aspirin) were synthesized and evaluated as potential prodrug forms of aspirin, N,N-disubstituted glycolamide esters were rapidly hydrolyzed in human plasma, resulting in the formation of aspirin as well as the corresponding salicylate esters. These in turn hydrolyzed rapidly to salicylic acid. The largest amount of aspirin formed from the esters were 50 and 55% in case of the N,N-dimethyl- and N,N-diethylglycolamide esters, resp. Similar results were obtained in blood with the N,N-dimethyl- and N,N-diethylglycolamide esters. Unsubstituted and monosubstituted glycolamide esters as well as most other esters previously suggested to be aspirin prodrugs hydrolyzed exclusively to the corresponding salicylic acid esters. Lipophilicity parameters and water solubilities of the esters were determined, and structural factors favoring ester prodrug hydrolysis at the expense of deacetylation to yield salicylate ester are discussed. The properties of some N,N-disubstituted glycolamide esters of aspirin are highlighted with respect to their use as potential aspirin prodrugs. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5COA of Formula: C17H15NO5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) 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. 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.COA of Formula: C17H15NO5

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

Studies on the reuse of recovered ethanol from benoral refining in natural medicinal chemistry experiments was written by Yuan, Chunling;Jia, Yunhong;Wang, Yajuan. And the article was included in Liaoning Yixueyuan Xuebao in 2012.Application of 5003-48-5 The following contents are mentioned in the article:

Objective: To study the reused of recovered ethanol that has been used in refining of benoral in natural medicinal chem. experiments Methods: Vacuum distillation of waste ethanol was used in the refining of benoral. 100 G crude rhubarb powder was weighted, 300 mL ethanol was extracted by heat reflux, and TLC was used to identify the extracted and separated anthraquinone glycosides. Results: Rf values between the spot evolved resp. by extraction I extracted by various proportion ethanol and the spot of standard reagent rhein were the same, Rf values between the spot evolved resp. by extraction II extracted by various proportion ethanol and the spot of standard reagent emodin were the same. Evolved extraction III had two spots resp., Rf values between one spot and of standard reagent chrysophanol were the same. The other spot’s Rf value and the spot of standard reagent physcion’s Rf value were the same, which preliminarily confirmed that there was rhein in the extraction I, emodin in the extraction II, chrysophanol and physcion in the extraction III, and there was no impurity spot. Conclusion: The recovery of waste ethanol used in the refining of benoral can be used in extraction of Anthraquinone glycosides. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Application of 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) 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 5003-48-5

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

Synthesis, spectral properties and thermal behaviour of zinc(II) acetylsalicylate was written by Lambi, John N.;Nsehyuka, Alfred T.;Egbewatt, Nkongho;Cafferata, Lazaro F. R.;Arvia, Alejandro J.. And the article was included in Thermochimica Acta in 2003.SDS of cas: 5003-48-5 The following contents are mentioned in the article:

The thermal behavior of Zn(II) acetylsalicylate [Zn(acsa)₂(H₂O)₂] with respect to phase transitions, pyrolysis both in air and inert (N₂) atm., and product identification was studied. The complex was synthesized by metathesis in hot EtOH solution using aspirin (acetylsalicylic acid) as precursor and characterized via electronic and IR spectral analyses. Optical observations showed that the white salt does not undergo a direct transition from the solid to the liquid phase but rather goes slowly through an intermediate mesophase around 80° before melting rapidly to the brick-brown isotropic liquid around 134-136°. No liquid crystalline phases are however formed. This result was complemented by that from thermogravimetric (TG) studies in the ∼25-600° range, which showed three main weight-loss phases of 8.0, 50.0 and 14.0% (around 200, 250 and 400°) corresponding, resp., to the elimination of CO₂, xanthone and HOAc. The pyrolysis products, as identified using a combination of instrumental (GC-MS) and wet chem. techniques are: CO₂; nonstoichiometric Zn oxide, most likely in the form: Zn_1+xO (0.0000 ≤ x ≤ 0.0003); and a mixture of organic products resulting from further decomposition, charring and other attendant thermal effects at the relatively high temperatures (∼600°) involved. Six of the principal organic products were identified and included salsalate and benorylate which are pro-drugs of salicylic acid, a known pharmaceutical. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5SDS of cas: 5003-48-5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) 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. 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: 5003-48-5

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