Category: 27115-50-0

On August 10, 2015, Salami-Ranjbaran, Elmira; Khosropour, Ahmad R.; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah published an article.Category: amides-buliding-blocks The title of the article was A Novel pseudo-Four-Component Domino Reaction for the Synthesis of Naphtho[2,1-b]furan-2(1H)-ones Using a Nanocatalyst. And the article contained the following:

In this article, an original one-pot method is utilized to synthesize a variety of derivatives of naphtho[2,1-b]furan-2(1H)-one via a pseudo-four-component domino reaction of aryl aldehydes, acetic anhydride, hippuric acids, and 2-naphthols catalyzed by HSW@SPIONs. This reaction illustrates an array of attractive features including, with particular interest in this report, a convenient and unique process of creating and utilizing a powerful recyclable nanocatalyst. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Category: amides-buliding-blocks

The Article related to aryl aldehyde hippuric acid naphthol four component domino nanocatalyst, naphtho furanone preparation green chem, domino reaction, heterocycles, multicomponent reaction, nanocatalyst, naphthofuran, tungstosilicic acid hydrate and other aspects.Category: amides-buliding-blocks

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

On November 30, 2019, Kuang, Hongxuan; Li, Yonghong; Jiang, Wenhui; Wu, Peiqiong; Tan, Jianhua; Zhang, Haibin; Pang, Qihua; Ma, Shengtao; An, Taicheng; Fan, Ruifang published an article.Synthetic Route of 27115-50-0 The title of the article was Simultaneous determination of urinary 31 metabolites of VOCs, 8-hydroxy-2′-deoxyguanosine, and trans-3′-hydroxycotinine by UPLC-MS/MS: 13C- and 15N-labeled isotoped internal standards are more effective on reduction of matrix effect. And the article contained the following:

Human beings are inevitably exposed to volatile organic compounds (VOCs) of anthropogenic emissions as they are ubiquitous atm. pollutants. Smoking is an important exposure route of VOCs for the general population. Health effects induced by VOC exposure raise more concerns as they are identified with carcinogenicity, genotoxicity, neurotoxicity, and reproductive toxicity. trans-3′-Hydroxycotinine (OH-Cot) is a urinary biomarker of smoking, and 8-hydroxy-2′-deoxyguanosine (8-OHDG) is a urinary biomarker of DNA oxidative damage. To develop a method for quantifying VOC exposure levels of the general population and assessing the health risks induced by VOCs from second-hand smoking, an effective, rapid, and high-throughput method for the simultaneous determination of 31 metabolites of VOCs, 8-OHDG, and OH-Cot using solid-phase extraction coupled with UPLC-MS/MS was developed and validated. Method precision and accuracy, extraction recoveries, matrix effects, and storage stabilities of most analytes met the criterion (80-120%). Extraction recoveries increased from 85.1 to 100% after adjustment by isotoped internal standards (ISs). Furthermore, 13C- and 15N-labeled ISs were more effective to reduce the influence of matrix effects on recoveries and precisions than the deuterated analogs (73.0-116% vs. 53.6-140%). This developed method was successfully applied to determine urine samples collected from children. Results showed that N-acetyl-S-(3,4-dihydrobutyl)-L-cysteine, 2,2′-thiodiacetic acid (TGA), and N-acetyl-S-(3-hydroxypropyl-1-methyl)-L-cysteine (HPMMA) were well correlated with 8-OHDG with coefficients higher than 0.82, indicating those VOCs might easily lead to DNA damage. In conclusion, our co-monitoring of metabolites of VOCs with 8-OHDG and OH-Cot in one method provides a robust anal. method, which not only suggests the potential adverse health effects induced by VOCs but also discriminates and evaluates the contribution of passive smoking in human VOC exposure. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Synthetic Route of 27115-50-0

The Article related to simultaneous determination urine metabolite passive smoking volatile exposure, volatile organic compound dna oxidative damage determination, dna damage, matrix effect, passive smoking, urinary metabolites, volatile organic compounds and other aspects.Synthetic Route of 27115-50-0

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

On December 1, 2020, Guillen, Marilia; Mora, Asiloe J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramirez, Jeans W.; Burgos, Jose L.; Rincon, Luis; Delgado, Gerzon E. published an article.Formula: C10H11NO3 The title of the article was Two conformational polymorphs of 4-methylhippuric acid. And the article contained the following:

4-Methylhippuric acid {systematic name: 2-[(4-methylbenzoyl)amino]ethanoic acid}, a p-xylene excreted metabolite with a backbone containing three rotatable bonds (R-bonds), is likely to produce more than one stable mol. structure in the solid state. In this work, we prepared polymorph I by slow solvent evaporation (plates with Z’ = 1) and polymorph II by mech. grinding (plates with Z’ = 2). Potential energy surface (PES) anal., rotating the mol. about the C-C-N-C torsion angle, shows four conformational energy basins. The second basin, with torsion angles near -73°, agree with the conformations adopted by polymorph I and mols. A of polymorph II, and the third basin at 57° matched mols. B of polymorph II. The energy barrier between these basins is 27.5 kJ mol-1. Superposition of the mols. of polymorphs I and II rendered a maximum r.m.s. deviation of 0.398 Å. Polymorphs I and II are therefore true conformational polymorphs. The crystal packing of polymorph I consists of C(5) chains linked by N-H···O interactions along the a axis and C(7) chains linked by O-H···O interactions along the b axis. In polymorph II, two mols. (A with A or B with B) are connected by two acid-amide O-H···O interactions rendering R22(14) centrosym. dimers. These dimers alternate to pile up along the b axis linked by N-H···O interactions. A Hirshfeld surface anal. localized weaker noncovalent interactions, C-H···O and C-H···π, with contact distances close to the sum of the van der Waals radii. Electron d. at a local level using the Quantum Theory of Atoms in Mols. (QTAIM) and the Electron Localization Function (ELF), or a semi-local level using noncovalent interactions, was used to rank interactions. Strong closed shell interactions in classical O-H···O and N-H···O hydrogen bonds have electron d. highly localized on bond critical points. Weaker delocalized electron d. is seen around the p-methylphenyl rings associated with dispersive C-H···π and H···H interactions. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Formula: C10H11NO3

The Article related to two conformational polymorph methylhippuric acid, dft calculations, hirshfeld surface analysis, qtaim and nci topological analysis, conformational polymorphism, hydrogen bonding, noncovalent interactions, single-crystal x-ray diffraction and other aspects.Formula: C10H11NO3

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

On December 7, 2018, Baghdady, Yehia Z.; Schug, Kevin A. published an article.Electric Literature of 27115-50-0 The title of the article was A novel diagnostic in situ derivatization kit for the simultaneous determination of 14 biomarkers of exposure to benzene, toluene, ethyl benzene and xylenes in human urine by isotope dilution liquid chromatography tandem mass spectrometry and kit optimization using response surface methodology. And the article contained the following:

Metabolite profiling can be used as a diagnostic measure for both short and long term co-exposure by individuals to benzene, toluene, ethylbenzene and xylenes (BTEX). A novel one pot derivatization in situ kit (OPDISK) was developed and optimized using a multivariate approach based on central composite design. The OPDISK was designed to simultaneously derivatize, in a urine sample matrix, a series of fourteen carboxylic acid and phenol-bearing urinary metabolites of BTEX to enhance their chromatog. anal. and sensitivity for detection by liquid chromatog. – electrospray ionization – tandem mass spectrometry (LC-ESI-MS/MS). Using the reagent kit, the less responsive functional units on the mols. were converted to permanently pos.-charged functional units. The kit was composed of three components, 2-fluoro-1-methylpyridinium p-toluenesulfonate (FMP), 3-carbinol-1-methylpyridinium iodide (CMP) and triethylamine (TEA) as a basic catalyst and, only after diluting a urine sample 20-fold with acetonitrile, was applied under mild conditions of room temperature and short reaction time of 20 min. The derivatized biomarkers were then directly analyzed using isotope dilution LC-ESI-MS/MS. The method was sensitive (limit of detection on column ranged from 1.4 pg to 3.1 ng), accurate (mean accuracy from 85% to 114%), and precise (mean coefficient of variation from 1% to 14%). The method results indicated a good linearity (R2 ≥0.990) for all metabolites. ClinChek urine control samples were used successfully to demonstrate the accuracy of the method. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Electric Literature of 27115-50-0

The Article related to benzene toluene ethylbenzene xylene exposure biomarker determination urine, btex exposure biomarker determination human urine lc ms opdisk, btex, biomarkers, central composite design, in situ derivatization, metabolites, occupational exposure and other aspects.Electric Literature of 27115-50-0

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

On October 31, 2010, Fun, Hoong-Kun; Yeap, Chin Sing; Mange, Yatin; Isloor, Arun M.; Hegde, Chitrakar published an article.Application of 27115-50-0 The title of the article was N-[(4-Amino-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-methylbenzamide. And the article contained the following:

In N-[(4-amino-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-methylbenzamide, C11H13N5OS, the dihedral angle between the triazole ring and the benzene ring is 84.21(7)°. The amino group adopts a pyramidal configuration. An intramol. N-H···O H bond stabilizes the mol. structure and generates an S(8) ring. In the crystal, mols. are linked by intermol. N-H···O, N-H···S, N-H···N and C-H···S H bonds into layers lying parallel to the bc plane. The crystal structure is further stabilized by aromatic π-π stacking interactions [centroid-centroid distance = 3.3330(7) Å]. Crystallog. data are given. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Application of 27115-50-0

The Article related to crystal structure aminosulfanylidenedihydrotriazolylmethylmethylbenzamide, mol structure aminosulfanylidenedihydrotriazolylmethylmethylbenzamide, hydrogen bond aminosulfanylidenedihydrotriazolylmethylmethylbenzamide, pi stacking aminosulfanylidenedihydrotriazolylmethylmethylbenzamide, triazolylmethylmethylbenzamide aminosulfanylidenedihydro crystal mol structure and other aspects.Application of 27115-50-0

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

On March 31, 2019, Hu, Cong; Yang, Zhen; Yan, Fuhua; Sun, Biancheng published an article.Formula: C10H11NO3 The title of the article was Extraction of the toluene exposure biomarkers hippuric acid and methylhippuric acid using a magnetic molecularly imprinted polymer, and their quantitation by LC-MS/MS. And the article contained the following:

A magnetic polymer was molecularly imprinted with hippuric acid (HA) to obtain a nanomaterial with an architecture of type Fe3O4@SiO2@MIP. It was used as a sorbent for magnetic solid phase extraction of HA and methylhippuric acids (2-MHA, 3-MHA, 4-MHA) from urine samples. The resp. imprinting factor are 4.6, 2.7, 2.0 and 1.8, resp., and the selectivity coefficients are 1.7, 2.3 and 2.6. The effects of adsorbent amount, extraction time, pH value, ionic strength, desorption solvent and desorption time on the extraction of HA and MHA were investigated. Following elution with 1 mM NaOH solution, the 4 HAs were quantified by ultra-performance liquid chromatog. with mass spectrometric detection. Under the optimal exptl. conditions, the limits of detection (at S/N = 3) range between 89 ng·L-1 (for HA) and 170 ng·L-1 (for 4-MHA), the limits of quantification (at S/N = 10) range between 300 ng·L-1 (for HA) and 570 ng·L-1 (for 4-MHA), the linear range extends from 500 ng·L-1 to 10 mg·L-1, the relative standard deviations of intra-day range between 6.4 and 9.6% (for n = 6 at 10μg·L-1) and inter-day range between 9.2 and 11.5% (for n = 6 at 10μg·L-1). The method was successfully applied to the anal. of HA and MHA in (spiked) urine, and good recoveries were obtained. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Formula: C10H11NO3

The Article related to lc ms toluene biomarker hippuric methylhippuric acid polymer china, fourier transform infrared spectrometry, magnetic solid phase extraction, transmission electron microscopy, ultrasonic liquid desorption, urine analysis, vortex-assisted extraction, x-ray photoelectron spectroscopy and other aspects.Formula: C10H11NO3

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